Thermodynamic Modeling of the SFCA Phase Ca2(Fe,Ca)6(Fe,Al,Si)6O20

The thermodynamic model of a silico-ferrites of calcium and aluminum solution, SFCA phase ( ) was newly developed in the framework of the Compound Energy Formalism (CEF). Preferred substitution of Al atoms to tetrahedral sites in the SFCA solution was verified by X-ray absorption near edge structure...

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Bibliographic Details
Published inISIJ International Vol. 58; no. 2; pp. 259 - 266
Main Authors Murao, Reiko, Harano, Takayuki, Kimura, Masao, Jung, In-Ho
Format Journal Article
LanguageEnglish
Published The Iron and Steel Institute of Japan 2018
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Summary:The thermodynamic model of a silico-ferrites of calcium and aluminum solution, SFCA phase ( ) was newly developed in the framework of the Compound Energy Formalism (CEF). Preferred substitution of Al atoms to tetrahedral sites in the SFCA solution was verified by X-ray absorption near edge structure (XANES) analysis. On considering crystallographic information in particular the short-range-ordering nature in the SFCA solution, the structure was considered for modeling the SFCA solution. The optimized Gibbs energies of all end-members can successfully reproduce the experimental single phase region of the SFCA solution.
ISSN:0915-1559
1347-5460
DOI:10.2355/isijinternational.ISIJINT-2017-459