Dmitry S. Tsvetkov, Dmitry A. Malyshkin, Vladimir V. Sereda, Ivan L. Ivanov, Nadezhda S. Tsvetkova, Andrey Yu. Zuev
{"title":"High-temperature thermodynamic properties of Y-doped barium zirconates, BaZr1–xYxO3−x/2 (x = 0.1, 0.2), with perovskite-type structure","authors":"Dmitry S. Tsvetkov, Dmitry A. Malyshkin, Vladimir V. Sereda, Ivan L. Ivanov, Nadezhda S. Tsvetkova, Andrey Yu. Zuev","doi":"10.1007/s00269-024-01304-6","DOIUrl":null,"url":null,"abstract":"<div><p>Perovskite-type oxides BaZr<sub>1–<i>x</i></sub>Y<sub><i>x</i></sub>O<sub>3−x/2</sub> (<i>x</i> = 0.1, 0.2) were synthesized and their enthalpy increments were measured by means of high-temperature drop calorimetry in the temperature range of (373–1273) K in air. The data obtained were used for estimating the high-temperature thermodynamic functions (constant pressure heat capacity and entropy increments) of the zirconates BaZr<sub>1–<i>x</i></sub>Y<sub><i>x</i></sub>O<sub>3−x/2</sub> (<i>x</i> = 0.1, 0.2). They were found to be only weakly dependent on the concentration of Y-dopant. Thermal expansion coefficient of zirconates BaZr<sub>1–<i>x</i></sub>Y<sub><i>x</i></sub>O<sub>3−x/2</sub> (<i>x</i> = 0.1, 0.2) was successfully estimated by Grüneisen equation. Also, Neumann-Kopp rule was shown to be inapplicable for accurate estimation of heat capacities of the studied oxides. Thermodynamic analysis showed that BaZr<sub>1–<i>x</i></sub>Y<sub><i>x</i></sub>O<sub>3−x/2</sub> (<i>x</i> = 0.1, 0.2) oxides are prone to chemical interaction with CO<sub>2</sub> at typical working temperatures of proton-conducting solid oxide fuel cells. Some possibilities to overcome this issue have been discussed.</p></div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"52 1","pages":""},"PeriodicalIF":1.2000,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physics and Chemistry of Minerals","FirstCategoryId":"89","ListUrlMain":"https://link.springer.com/article/10.1007/s00269-024-01304-6","RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Perovskite-type oxides BaZr1–xYxO3−x/2 (x = 0.1, 0.2) were synthesized and their enthalpy increments were measured by means of high-temperature drop calorimetry in the temperature range of (373–1273) K in air. The data obtained were used for estimating the high-temperature thermodynamic functions (constant pressure heat capacity and entropy increments) of the zirconates BaZr1–xYxO3−x/2 (x = 0.1, 0.2). They were found to be only weakly dependent on the concentration of Y-dopant. Thermal expansion coefficient of zirconates BaZr1–xYxO3−x/2 (x = 0.1, 0.2) was successfully estimated by Grüneisen equation. Also, Neumann-Kopp rule was shown to be inapplicable for accurate estimation of heat capacities of the studied oxides. Thermodynamic analysis showed that BaZr1–xYxO3−x/2 (x = 0.1, 0.2) oxides are prone to chemical interaction with CO2 at typical working temperatures of proton-conducting solid oxide fuel cells. Some possibilities to overcome this issue have been discussed.
期刊介绍:
Physics and Chemistry of Minerals is an international journal devoted to publishing articles and short communications of physical or chemical studies on minerals or solids related to minerals. The aim of the journal is to support competent interdisciplinary work in mineralogy and physics or chemistry. Particular emphasis is placed on applications of modern techniques or new theories and models to interpret atomic structures and physical or chemical properties of minerals. Some subjects of interest are:
-Relationships between atomic structure and crystalline state (structures of various states, crystal energies, crystal growth, thermodynamic studies, phase transformations, solid solution, exsolution phenomena, etc.)
-General solid state spectroscopy (ultraviolet, visible, infrared, Raman, ESCA, luminescence, X-ray, electron paramagnetic resonance, nuclear magnetic resonance, gamma ray resonance, etc.)
-Experimental and theoretical analysis of chemical bonding in minerals (application of crystal field, molecular orbital, band theories, etc.)
-Physical properties (magnetic, mechanical, electric, optical, thermodynamic, etc.)
-Relations between thermal expansion, compressibility, elastic constants, and fundamental properties of atomic structure, particularly as applied to geophysical problems
-Electron microscopy in support of physical and chemical studies
-Computational methods in the study of the structure and properties of minerals
-Mineral surfaces (experimental methods, structure and properties)