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Thermodynamic investigation of ZrO_2-BaO system 被引量:1

Thermodynamic investigation of ZrO_2-BaO system
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摘要 Thermodynamic description of ZrO2-BaO system was developed using the available experimental information. Special attention was paid to the modelling of the perovskite phase BaZrO3 by a temperature-dependent polynomial to fit the experimental thermodynamic properties. The liquid phases, CSS (cubic ZrO2 solid solution) and TSS (tetragonal ZrO2 solid solution) were modelled with Redlich-Kister formula. The compounds Ba2ZrO4 and Ba3Zr2O7 were treated as stoichiometric phases and the BaOSS and MSS (halite BaO and monoclinic ZrO2 solid solutions) were treated as pure compounds. Comparisons between the calculated and the measured phase diagram as well as the thermodynamic quantities indicate that the most reliable experimental information is satisfactorily accounted for by the present thermodynamic calculation. Thermodynamic description of ZrO2-BaO system was developed using the available experimental information. Special attention was paid to the modelling of the perovskite phase BaZrO3 by a temperature-dependent polynomial to fit the experimental thermodynamic properties. The liquid phases, Css (cubic ZrO2 solid solution) and Tss (tetragonal ZrO2 solid solution) were modelled with Redlich-Kister formula. The compounds Ba2ZrO4 and Ba3Zr207 were treated as stoichiometric phases and the BaOss and Mss (halite BaO and monoclinic ZrO2 solid solutions) were treated as pure compounds. Comparisons between the calculated and the measured phase diagram as well as the thermodynamic quantities indicate that the most reliable experimental information is satisfactorily accounted for by the present thermodynamic calculation.
出处 《中国有色金属学会会刊:英文版》 EI CSCD 2007年第2期232-237,共6页 Transactions of Nonferrous Metals Society of China
基金 Project(33354) supported by the Natural Science Foundation of Guangdong Province, China
关键词 ZrO2-BaO系统 热力学研究 钙钛矿相 氧化锆 氧化钡 ZrO2-BaO system thermodynamic description perovskite phase Redlich-Kister formula
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