Critical Assessment and Thermodynamic Modeling of the Al-Fe-O System

Shishin, Denis; Prostakova, Viktoria; Jak, Evgueni; Decterov, Sergei A.

doi:10.1007/s11663-015-0493-9

Cited by 40 publications

(18 citation statements)

References 69 publications

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“…The results show that the amount of spinel does not change while the values of Hematite reduces during higher temperature calcination of the specimen. So, one can conclude that iron cations diffused from hematite into spinel structure [10,18]. Fig.…”

Section: Resultsmentioning

confidence: 82%

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Magnesium Doped Hercynite: Preparation and Formation Mechanism

Rahmani-Boldaji¹,

Saeri²,

Otroj³

et al. 2018

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We investigated the formation mechanism of magnesium doped hercynite during reaction sintering process at 1400 ºC. A two-step synthesis procedure based on combining of spinel and ferrous chloride was considered here. Firstly, magnesium aluminate spinel was prepared by sol-gel method, using Al and Mg chlorides as raw materials. Then, the powder particles were dispersed in an aqueous solution of ferrous chloride in 1.5:1 molar ratio and the solution was stirred at 60 °C. After solvents removal, the thermal properties of a sample of the dried specimens were studied, using simultaneous thermal analysis (STA) method. Afterwards, the specimens were calcined at 400, 800, 1100 and 1400 ºC for 1, 3 and 6 hrs, under air atmosphere. X-ray diffraction (XRD) analysis, field emission scanning electron microscope (FESEM) and X-ray fluorescence spectroscopy (XRF) were used for characterization of the specimens. Study of the obtained results leads us to conclude that hercynite was formed thorough a diffusion-based mechanism, when heated to high enough temperatures. After heating for a prolonged period (6 hrs.) at 1400 °C, hercynite decomposes into its constituent oxides and also a new crystal phase appears. This new phase was identified as FeAlO3. The modified Scherrer, Williamson-Hall and Rietveld methods are also used to estimate the crystallite size of the as-synthesized magnesium doped hercynite.

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Section: Resultsmentioning

confidence: 82%

“…Because ΔG = − 71086 + 11.89T, when the temperature increased, ΔG < 0, and so Fe2O3 reacts with Al2O3, forming FeAlO3 [18]. Consequently, under increasing time and/or temperature, the FeAlO3 spinel content increased (see Fig.…”

Section: Resultsmentioning

confidence: 99%

Magnesium Doped Hercynite: Preparation and Formation Mechanism

Rahmani-Boldaji¹,

Saeri²,

Otroj³

et al. 2018

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“…It is also essential for simulating interactions of refractories with slags and metals, as well as for many other industrial applications. This chemical system has been optimized from 25 °C to above the liquidus temperatures at all compositions and oxygen partial pressures from equilibrium with metals to equilibrium with oxygen [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20].…”

Section: Components Of the Thermodynamic Database For Oxide Systemsmentioning

confidence: 99%

“…However, extrapolations into multicomponent systems are different. This problem is most pronounced for solutions, such as spinels, where the same cations can be present on more than one sublattice [19,30,72].…”

Section: Compound Energy Formalismmentioning

confidence: 99%

Thermodynamic database for multicomponent oxide systems

Decterov

2018

Chim.Tech.Acta

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Thermodynamic database for multicomponent oxide systems A state-of-the-art thermodynamic database has been developed for multicomponent oxide systems. It can be used in combination with FactSage software to calculate the properties of metallurgical slags, glasses, ceramics, refractories, minerals, cements, etc. The database has been developed by collecting all available structural, thermodynamic, and phase equilibria data for a particular chemical system, critical evaluation of this information, developing a thermodynamic model for each solution phase and optimization of model parameters to reproduce the experimental data. Then the models are used to estimate the thermodynamic properties of multicomponent solutions from the properties of lower-order subsystems. Oxide phases often exhibit complex structures and strong interactions between components, which require more sophisticated models than are normally used, for example, for metal alloys. Short-range ordering is rather common and random mixing is often not a good approximation. The models for multicomponent liquid and solid solutions have been developed within the Modified Quasichemical Formalism and Compound Energy Formalism. Optimized model equations are consistent with thermodynamic principles and fully characterize a chemical system, requiring much less experimental work to achieve this goal since only a few measurements are needed in higher-order systems to validate the model estimates. The database can be readily used in conjunction with the FactSage Gibbs energy minimization software to calculate any stable or metastable phase equilibria and phase diagrams. The present article outlines the major components and phases that are currently available in the oxide database, as well as the most important features of the models that have been developed. The model and database have also been developed for the viscosity of oxide melts and glasses. The model links the viscosity to the structure of the liquid phase, which is estimated using the thermodynamic database.

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“…The present thermodynamic optimization has been carried out as part of the wider research program aimed at the complete characterization of phase equilibria and thermodynamic properties and the development of a thermodynamic database for the entire Al-Ca-Cu-Fe-Mg-Si-O-S multi-component system. [54,[62][63][64][65][66] The present optimized model parameters form part of the larger database for metallic, sulfide, oxide systems, which can be used together with the FactSage software [40] for the simulation of high temperature metallurgical processes, such as sintering, steel-making, copper smelting and converting, and for the exploration or development of new processes.…”

Section: Liquidus Projection In the Feo-fe 2 O 3 -Sio 2 Systemmentioning

confidence: 99%

Experimental Study and Thermodynamic Re-optimization of the FeO-Fe2O3-SiO2 System

Hidayat

Shishin

Decterov

et al. 2017

J. Phase Equilib. Diffus.

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Phase equilibria and thermodynamic data in the FeO-Fe 2 O 3 -SiO 2 system were critically reviewed. New experiments were undertaken to resolve discrepancies found in previous data. The liquid oxide/slag phase was described using the modified quasichemical model. New optimized parameters of the thermodynamic models for the Gibbs energies of slag and other phases in the selected system were obtained. The new parameters reproduce all available phase equilibria and thermodynamic data within the experimental error limits from 298 K (25°C) to above the liquidus temperatures at all compositions and oxygen partial pressures from metal saturation to 1 atm of O 2 . This study was carried out as part of the development of a selfconsistent thermodynamic database for the Al-Ca-Cu-FeMg-Si-O-S multi-component system.

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Critical Assessment and Thermodynamic Modeling of the Al-Fe-O System

Cited by 40 publications

References 69 publications

Magnesium Doped Hercynite: Preparation and Formation Mechanism

Magnesium Doped Hercynite: Preparation and Formation Mechanism

Thermodynamic database for multicomponent oxide systems

Experimental Study and Thermodynamic Re-optimization of the FeO-Fe2O3-SiO2 System

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