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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Published in | ISIJ International Vol. 58; no. 2; pp. 259 - 266 |
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Main Authors | , , , |
Format | Journal Article |
Language | English |
Published |
The Iron and Steel Institute of Japan
2018
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Subjects | |
Online Access | Get full text |
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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. |
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ISSN: | 0915-1559 1347-5460 |
DOI: | 10.2355/isijinternational.ISIJINT-2017-459 |