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Coupled Experimental and Thermodynamic Optimization of the Na 2 O–FeO–Fe 2 O 3 –Al 2 O 3 System: Part 2. Thermodynamic Optimization
Author(s) -
MoosaviKhoonsari Elmira,
Jung InHo
Publication year - 2016
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/jace.14002
Subject(s) - phase diagram , thermodynamics , calphad , oxidizing agent , solid solution , formalism (music) , chemistry , phase (matter) , materials science , physics , metallurgy , art , musical , organic chemistry , visual arts
A complete thermodynamic description of the Na 2 O–FeO–Fe 2 O 3 –Al 2 O 3 system was conducted based on the critical evaluation and optimization of available thermodynamic properties and phase diagram data. The thermodynamic behavior of the liquid solution was described using the Modified Quasichemical Model, and the solid solutions Na(Al,Fe)O 2 meta‐oxides and Na 2 (Al,Fe) 12 O 19 Na‐β″‐alumina were modeled using the Compound Energy Formalism considering their sublattice structures. Most experimental phase diagram data at reducing and oxidizing conditions were reproduced within 3 mol% of compositional error ranges. Many unexplored phase diagrams of this system under different oxygen partial pressures were predicted within the estimated accuracy of ±5 mol% in composition and ±50 K in temperature from the present thermodynamic models with optimized parameters.