Thermodynamic Description of the Ti-Al-O System Based on Experimental Data

Ilatovskaia, Mariia; Savinykh, G.; Fabrichnaya, Olga

doi:10.1007/s11669-016-0509-4

Cited by 41 publications

(20 citation statements)

References 24 publications

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“…All the thermodynamic property and phase diagram data of the Al 2 O 3 -Ti 2 O 3 -TiO 2 system available in the literature were first reviewed. New phase diagram experimental data from this study and all reliable experimental data (with known atmospheric conditions) from the literature [23][24][25][26][27][28][29][30][31][32][33][34] were then simultaneously considered to obtain a set of Gibbs energy functions for all the phases. The optimized model parameters in this study are listed in Table 1.…”

Section: Critical Evaluation/optimization Of Experimental Datamentioning

confidence: 99%

“…(1) Air Atmosphere The calculated phase diagram of the Al 2 O 3 -TiO 2 system in air atmosphere is shown in Fig. 6 along with the experimental data 23,24,[28][29][30]34) and current experimental data discussed below. The Al 2 O 3 -TiO 2 was first studied by von Wartenberg and Reusch 23) and by Bunting 24) using thermal analysis (TA) technique and petrographic microscope (PM).…”

Section: Phase Diagram Datamentioning

confidence: 99%

“…Goldberg 28) preformed phase equilibrium experiments using quenching technique (QT) and optical microscopic (OM) analysis and reported the eutectic at 1 703°C and 80. 13 28) and Ilatovskaia et al 34) experimental measurements were used to fix the liquidus between Al 2 O 3 and TiO 2 . To fix the Al 2 O 3 solubility in TiO 2 , measurements performed from the current study and from Sleptys and Vaughan 29) were used.…”

Section: Phase Diagram Datamentioning

confidence: 99%

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Coupled Experimental Study and Thermodynamic Modeling of the Al2O3–Ti2O3–TiO2 System

Panda

Jung

2020

ISIJ Int.

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A complete critical evaluation and re-optimization of phase diagrams and thermodynamic properties of the Al 2 O 3-Ti 2 O 3-TiO 2 system at 1 atm pressure has been performed. Equilibration and quenching experiment in the Al 2 O 3-TiO 2 system in air was also performed to constrain the solubility limit of Al 2 O 3 in TiO 2 rutile solution at high temperatures. The molten oxide phase was described by the Modified Quasichemical Model considering the short-range ordering in molten oxide. While Al 2 TiO 5 and Ti 3 O 5 were treated as separate stoichiometric phases in the previous optimization, they were described in this study, using the Compound Energy Formalism, as part of pseudobrookite solid solution with a miscibility gap based on new experimental data. Corundum and rutile solutions were also described based on their crystal structures. New high temperature phase, Al 6 Ti 2 O 13 , was also considered for the first time. A set of optimized model parameters of all phases was obtained, which reproduces all available and reliable literature data within experimental error limits from 25°C to above the liquidus temperatures under oxygen partial pressures from metallic saturation to 1 atm. The newly optimized database was applied to calculate the inclusion diagram and reoxidation of Al-killed and Ti bearing steels. KEY WORDS: Al 2 O 3-TiO 2-Ti 2 O 3 ; inclusion; pseudobrookite; phase diagram; thermodynamic modeling. * Notations A, G, T are used for Al 3 + , Ti 3 + , and Ti 4 + , respectively. a The Gibbs energies pure liquid AlO1.5 (= 0.5 Al2O3), TiO2 and TiO1.5 (= 0.5 Ti2O3) were taken from and Eriksson and Pelton. 4,5) b The Gibbs energy of pseudobrookite end-members in the Ti-O system were taken from Panda and Jung. 6) c The Gibbs energy of ilmenite end-members in the Ti-O system were taken from Panda et al. 7) β,δ,φ The Gibbs energies of pure solid AlO1.5 (= 0.5 Al2O3), TiO2 and TiO1.5 (= 0.5 Ti2O3) were taken from Eriksson and Pelton. 4,5) ψ The Gibbs energies of pure rutile TiO1.5 (= 0.5 Ti2O3) were taken from Kang et al. 8)

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Section: Critical Evaluation/optimization Of Experimental Datamentioning

confidence: 99%

Section: Phase Diagram Datamentioning

confidence: 99%

Section: Phase Diagram Datamentioning

confidence: 99%

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Coupled Experimental Study and Thermodynamic Modeling of the Al2O3–Ti2O3–TiO2 System

Panda

Jung

2020

ISIJ Int.

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“…[29] The thermodynamic calculations were based on the minimization of the Gibbs free energy in the multiphase multicomponent system. Thus, they enabled to determine and to quantify phases, which are stable at given working pressure, temperature, and bulk chemical composition of the system.…”

Section: Thermodynamic Modeling and Description Of The Phase Reactionsmentioning

confidence: 99%

“…[32] The pre-sintered plates produced from the mixture of this AlSi7Mg0.6 powder and the TiO 2 powder contained 69 AE 3 mass% Al with significantly increased lattice parameter (a ¼ 0.40550 AE 0.00007 nm), 5 AE 1 mass% of Si, and 26 AE 2 mass% of rutile (with a ¼ 0.45970 AE 0.00008 nm and c ¼ 0.29601 The temperatures of formation are given in parentheses (data were taken from ref. [29] ). AE 0.00006 nm), see Figure 4a.…”

Section: Interface Reactions In the System Alsi7mg06/tiomentioning

confidence: 99%

Formation of Corundum, Magnesium Titanate, and Titanium(III) Oxide at the Interface between Rutile and Molten Al or AlSi7Mg0.6 Alloy

et al. 2017

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For the filtration of oxide inclusions in aluminum melts, active materials covering the surface of ceramic filters are developed permanently. In this study, corundum (a-Al 2 O 3 ) filters coated with rutile (TiO 2 ) coatings are exposed to molten aluminum and to aluminum alloy AlSi7Mg0.6, respectively. For pure aluminum, the chemical reactions occurring at the interface between the metal melt and the filter surface are found to lead primarily to the formation of Al 2 O 3 at the surface of the functionalized filter. Al 3 Ti and Ti 2 O 3 are found as minor phases for long operation times. In the case of aluminum alloy AlSi7Mg0.6, the surface of the TiO 2 coatings is covered by MgTiO 3 . Additional phases are Al 2 O 3 and Al 3 Ti. One part of the interface reaction experiments is performed on powder mixtures to identify the reaction products, another one on functionalized filters to estimate the reaction kinetics. The experiments are performed in a Spark Plasma Sintering apparatus, which offers high heating rates that are comparable with those in standard cast processes, but impedes the macroscopic flow of the melt in case of the bulk samples. The equilibrium state is concluded from thermodynamic calculations using the CalPhaD method.

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Thermodynamic Assessment as a Tool for Modeling Interactions at the Interface Between Ceramic Filter and Melt

Ilatovskaia,

Fabrichnaya

2024

Springer Series in Materials Science

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The chapter will focus on the thermodynamic database development relevant to modeling the interactions between filter materials, coatings, and inclusions in steel and Al-alloy. The CALPHAD approach is applied to develop thermodynamic databases, i.e. the available phase diagram data and experimental thermodynamic values are used to optimize the parameters describing the Gibbs energy of phases which can exist in the system. Thermodynamic description of multicomponent systems is the basis for more advance simulation of technological processes. In the chapter, the fundamentals and theory of thermodynamic modeling will be discussed in detail, and the most important results obtained will be presented. Examples of the thermodynamic calculations applied for solution of technological problems will be discussed.

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Thermodynamic Description of the Ti-Al-O System Based on Experimental Data

Cited by 41 publications

References 24 publications

Coupled Experimental Study and Thermodynamic Modeling of the Al<sub>2</sub>O<sub>3</sub>–Ti<sub>2</sub>O<sub>3</sub>–TiO<sub>2</sub> System

Coupled Experimental Study and Thermodynamic Modeling of the Al<sub>2</sub>O<sub>3</sub>–Ti<sub>2</sub>O<sub>3</sub>–TiO<sub>2</sub> System

Formation of Corundum, Magnesium Titanate, and Titanium(III) Oxide at the Interface between Rutile and Molten Al or AlSi7Mg0.6 Alloy

Thermodynamic Assessment as a Tool for Modeling Interactions at the Interface Between Ceramic Filter and Melt

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