Numerical Treatment of Oxide Particle Dissolution in Multicomponent Slags with Local Gibbs Energy Minimization

Ogris, Daniel Marian; Gamsjäger, Ernst

doi:10.1002/srin.202200056

Cited by 6 publications

(4 citation statements)

References 69 publications

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“…phases in the binary CaO -SiO 2 system are taken from the assessment of Eriksson and Pelton [35] . The calculations are executed by means of a recently developed thermodynamic software package [36] .…”

Section: ½3mentioning

confidence: 99%

Cyclic Solid-Liquid Phase Transformations in the $$\text {CaO}$$–$$\text {SiO}_2$$ System—Experiments and Modelling

Ogris

Kircher

Gamsjäger

2023

Metall Mater Trans B

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The cyclic growth and shrinkage of solid oxides (i.e. wollastonite) in $$\text {CaO}$$ CaO –$$\text {SiO}_2$$ SiO 2 -based slags is investigated in-situ by means of High-Temperature Confocal Scanning Laser Microscopy (HT-CSLM). The compositions of the slags are carefully selected to induce different phase transformation conditions, i.e. congruent and incongruent melting/solidification. To complement the experimental results, the kinetics of growth and shrinkage of oxide crystals is investigated by means of a sharp interface model where the interfacial reaction and diffusion in the liquid bulk are considered as possible rate-controlling processes. The modelling approach combined with data analysis from key experiments reveals the underlying dissipative processes of solidification and melting phenomena, here, diffusion in the liquid bulk material and/or the interfacial reactions. The modelling approach is likely to be applicable for future materials design and processing problems from this perspective.

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Section: ½3mentioning

confidence: 99%

Cyclic Solid-Liquid Phase Transformations in the $$\text {CaO}$$–$$\text {SiO}_2$$ System—Experiments and Modelling

Ogris

Kircher

Gamsjäger

2023

Metall Mater Trans B

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“…The nonequilibrium models can further be classified based on the kinetics that are captured. Some of them are developed from the mass diffusion viewpoint and consider homogeneous spatial temperature fields . One such approach is the Scheil Gulliver that considers no solid diffusion and infinite liquid diffusivity .…”

Section: Introductionmentioning

confidence: 99%

“…Some of them are developed from the mass diffusion viewpoint and consider homogeneous spatial temperature fields. 22 One such approach is the Scheil Gulliver that considers no solid diffusion and infinite liquid diffusivity. 23 This might be restricted in terms of describing phase transformations for melt having limited diffusivity.…”

Section: Introductionmentioning

confidence: 99%

Control of Interface Migration in Nonequilibrium Crystallization of Li₂SiO₃ from Li₂O–SiO₂ Melt by Spatiotemporal Temperature and Concentration Fields

Chakrabarty,

Li,

Fischlschweiger

2024

ACS Omega

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During liquid−solid transformation, bulk mass and thermal diffusion, along with the evolved interfacial latent heat, work in tandem to generate interfacial thermodynamic and kinetic forces, the interplay of which decides the solidification velocity and consequently the solidified phase attributes. Hence, access to interface dynamics information in dependence of bulk transfer processes is pivotal to tailor the desired quantity of solid phases of unique compositions. It finds particular application for engineering concentrated Lithium (Li) phases out of Li-ion battery slags, thus generating a high value-added product from a conventional waste process stream. However, considerable challenge exists to predict the impact of the diverse external cooling rates on the evolving internal transfer processes and thus tuning solidification routes for achieving phases of interest. Hence, in this work, a thermodynamically consistent nonequilibrium model, by considering spatiotemporal temperature and concentration fields, is developed and applied to study solidification of Li 2 SiO 3 from a Li 2 O−SiO 2 melt that constitutes an important subsystem of the Li containing battery-recycling slags. The approach treats the sharp solid/liquid interface as a moving heat source. In the presence of different heat extraction profiles, it evaluates the spatial temperature heterogeneity and its implicit correlation to internal material fluxes resulting from maximization of dissipation and consequently the interrelation to interface velocities. Model calculations revealed that irrespective of the external cooling rate, for an initial short time duration, the magnitude of which increased with decreasing cooling rates, the interface velocities show a reducing trajectory directly relatable to the reducing thermodynamic forces due to localized interfacial temperature rise from the generated latent heat of fusion from the initial solidification. This is followed by a thermodynamically controlled regime, whereby for each cooling rate, the interface velocities increase until a maxima, the magnitude of which decreases with decreasing cooling rates. Finally, the interface propagation speeds decrease as controlled by the kinetic regime.

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“…In several reported CLSM dissolution studies [9,10,[12][13][14][15][16][17][18][19][20][21][22][23], all of the influencing phenomena and parameters, particularly the effects of slag bath motion and Stefan flow, were not incorporated into the evaluation methods. Ogris and Gamsjaeger [26] accounted for Stefan flow, but the effect of bath motion was not considered. However, both of the phenomena were incorporated in Ref.…”

Section: Introductionmentioning

confidence: 99%

Dissolution of Magnesia in Silicate Melts and Diffusivity Determination from CLSM Studies

Burhanuddin

Harmuth

2023

Applied Sciences

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Magnesia is one of the vital and extensively used refractory components. In this study, the dissolution of magnesia is investigated at 1450, 1500, and 1550 °C in three silicate slags in the CaO–Al2O3–SiO2–MgO system using high-temperature confocal laser scanning microscopy to determine its effective binary diffusivity. The pore-free fragments of single-crystal fused magnesia particles were used, and the effects of experimental parameters and slag properties on the dissolution of magnesia were assessed. The ranking of dissolution times in the three slags at the three temperatures did not agree with the trend expected from the CaO/SiO2 ratio of each slag. Instead, several quotients serving as reference numbers were tested. The effective binary diffusivities were calculated considering all the impacting phenomena and parameters. The diffusivities of magnesia at 1500 °C in the slags with CaO/SiO2 weight ratios of 0.65, 0.93, and 1.17 are 2.67 × 10−10, 1.81 × 10−10, and 3.20 × 10−10 m2/s, respectively. The diffusivity of magnesia in one of the three slags was compared with rotating finger test results, which showed good agreement. The plausibility of diffusivity was checked using an Arrhenius plot.

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Numerical Treatment of Oxide Particle Dissolution in Multicomponent Slags with Local Gibbs Energy Minimization

Cited by 6 publications

References 69 publications

Cyclic Solid-Liquid Phase Transformations in the $$\text {CaO}$$–$$\text {SiO}_2$$ System—Experiments and Modelling

Cyclic Solid-Liquid Phase Transformations in the $$\text {CaO}$$–$$\text {SiO}_2$$ System—Experiments and Modelling

Control of Interface Migration in Nonequilibrium Crystallization of Li₂SiO₃ from Li₂O–SiO₂ Melt by Spatiotemporal Temperature and Concentration Fields

Dissolution of Magnesia in Silicate Melts and Diffusivity Determination from CLSM Studies

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Numerical Treatment of Oxide Particle Dissolution in Multicomponent Slags with Local Gibbs Energy Minimization

Cited by 6 publications

References 69 publications

Cyclic Solid-Liquid Phase Transformations in the $$\text {CaO}$$–$$\text {SiO}_2$$ System—Experiments and Modelling

Cyclic Solid-Liquid Phase Transformations in the $$\text {CaO}$$–$$\text {SiO}_2$$ System—Experiments and Modelling

Control of Interface Migration in Nonequilibrium Crystallization of Li2SiO3 from Li2O–SiO2 Melt by Spatiotemporal Temperature and Concentration Fields

Dissolution of Magnesia in Silicate Melts and Diffusivity Determination from CLSM Studies

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Control of Interface Migration in Nonequilibrium Crystallization of Li₂SiO₃ from Li₂O–SiO₂ Melt by Spatiotemporal Temperature and Concentration Fields