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

被引：2
作者：
Murao, Reiko [1 ]
Harano, Takayuki [1 ]
Kimura, Masao [2 ,3 ]
Jung, In-Ho [4 ,5 ]
机构：
[1] Nippon Steel Corp Ltd, Adv Technol Res Labs, 20-1 Shintomi, Futtsu, Chiba 2938511, Japan
[2] High Energy Accelerator Res Org, Photon Factory, Inst Mat Struct Sci, Tsukuba, Ibaraki, Japan
[3] SOKENDAI Grad Univ Adv Studies, Dept Mat Struct Sci, Sch High Energy Accelerator Sci, Hayama, Japan
[4] McGill Univ, Min & Mat Engn, Montreal, PQ, Canada
[5] Seoul Natl Univ, Dept Mat Sci & Engn, Coll Engn, Seoul, South Korea
来源：
TETSU TO HAGANE-JOURNAL OF THE IRON AND STEEL INSTITUTE OF JAPAN | 2019年 / 105卷 / 05期
关键词：
iron ore sinter; calcium-ferrite; thermodynamic model; AENIGMATITE STRUCTURE-TYPE; SOLID-SOLUTION LIMITS; QUASI-CHEMICAL MODEL; CRYSTAL-STRUCTURE; IRON; HOMOLOG; FERRITE; CALCIUM; SYSTEM; STATE;
D O I：
10.2355/tetsutohagane.TETSU-2018-139
中图分类号：
TF [冶金工业];
学科分类号：
0806 ;
摘要：
The thermodynamic model of a. silico-ferrites of calcium and aluminum solution, SFCA phase (Ca-2(Fe, Ca)(6)(Oct)(Fe, Al, Si)(6)O-Tet(20)) 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 Ca-8(Fe3+)(20)(Oct)(CaSi6+, FeFe6+, FeAl6+)(3)(Paired)(CaSi6+)(1)(Paired)(Fe3+, Al3+)(20)O-Tet(80) 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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页码：1 / 9
页数：9
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