Na-Fe-O系熱化学データベースの整合と状態図の計算

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Author: 黄錦涛ほか

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Publication date: 2002-04

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Note (General)：: In Na-Fe-O system, some ternary sodium-iron complex oxides have not been intensively investigated, so that thermodynamic data obtained separately...

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Summary, etc.：: In Na-Fe-O system, some ternary sodium-iron complex oxides have not been intensively investigated, so that thermodynamic data obtained separately...

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Material Type: 文書・図像類
Title: Na-Fe-O系熱化学データベースの整合と状態図の計算
Author/Editor: 黄錦涛
古川智弘
青砥紀身
Author Heading: 黄錦涛
古川智弘
青砥紀身
Publication Date: 2002-04
Publication Date (W3CDTF): 2002-04
Alternative Title: Assessment of thermochemical date of ternary Na-Fe oxides and calculation of Na-Fe-0 phase diagram
Periodical title: JNC TN9400 2002-006
Text Language Code: eng
Target Audience: 一般
Note (General): In Na-Fe-O system, some ternary sodium-iron complex oxides have not been intensively investigated, so that thermodynamic data obtained separately seem not consistent to eaxh other. Available thermo dynamic database sometimes lead to wrong conclusion. The Gibbs energies of formation of Na3FeO3 and Na4FeO3 were both evaluated based on the latest experiment results. Consistent sets of thermodynamic data table were created for Thermo-Calc and MALT2 computer codes. The modified thermodynamic database was applied to carry out ternary phase diagram conclusions by Thermo-Calc code at different temperatures. Meanwhile, predominance diagram of Na-Fe-O athigh temperatures were calculated too. The chemical stability of sodium iron complex oxides was quanti- tatively determined according to present calculation. Composed to some early phase diagrams in Na0Fe-O system, the new phase diagrams show better consistence with the experiment results obtained up to now. Thefundamental informat
Na-Fe-O系化合物の中でいくつかのNaFe複合酸化物に関する研究はこれまで詳細に実施されておらず、個々に得られたそれらの熱力学データは互いに矛盾が生じているように思われる。このため利用可能な熱力学データベースは時には誤った結果を導く。これまでに報告されているNa-Fe-O三元系平衡状態図は必ずしも正しい結果を示しているとはいえない。そこで、信頼性のあるデータを得るために蒸気圧測定実験分析を実施した。Na$_{3}$FeO$_{3}$とNa$_{4}$FeO$_{3}$の生成ギブスエネルギーを評価し、その実験結果に基づいてThermo-Calcフオーマットと互換性のある熱力学ユーザーデータベースを構築した。各相の安定条件を定量的に示すために、Na-O雰囲気におけるNaFe複合酸化物の化学ポテンシャル図を400, 600, 800および1000Kに対してそれそれ作成した。室温から1000Kまでの範囲で新たに作成したNa-Fe-O系平衡状態図は、実験結果と矛盾のない結果が得られた。
Source: /JNC-TN9400-2002-006.pdf （fulltext）
https://jopss.jaea.go.jp/pdfdata/JNC-TN9400-2002-006.pdf
Access Restrictions: 限定公開
Data Provider (Database): 国立情報学研究所 : 学術機関リポジトリデータベース（IRDB）（機関リポジトリ）
https://irdb.nii.ac.jp
Original Data Provider (Database): 日本原子力研究開発機構 : JOPSS:JAEA Originated Papers Searching System