A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

Thibodeau, Eric; Gheribi, Aïmen E.; Jung, In‐Ho

doi:10.1007/s11663-015-0548-y

Cited by 14 publications

(7 citation statements)

References 61 publications

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“…Based on the molar volume of each silicate structural unit Q n with a basic oxide cation, the molar volume (density) of slag was also modeled for the SiO 2 -CaO- [49][50][51] The density of molten salt of the (Li + , Na + , K + , Mg 2+ , Ca 2+ // Cl À , F À ) system is also available in the FTsalt database. [52] The molar volume for liquid and solid phases in the Al-Mg-Zn-Fe-Mn system is modeled and stored in the FTlite database.…”

Section: Physical Property Models and Databasesmentioning

confidence: 99%

Computational Thermodynamic Calculations: FactSage from CALPHAD Thermodynamic Database to Virtual Process Simulation

Jung

Ende

2020

Metall Mater Trans B

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132

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IN-HO JUNG and MARIE-ALINE VAN ENDEThe CALPHAD-type computational thermodynamic databases have been developed since 1970. Several commercial computational thermodynamic software equipped with comprehensive and accurate thermodynamic databases and fast Gibbs energy minimization routine are widely used in the design of new materials and the optimization of materials processing. In this study, the FactSage software, which is the most frequently accessed software in high temperature materials processing, is briefly overviewed. The current databases and on-going directions of the thermodynamic database development are discussed. Application examples of FactSage thermodynamics databases to steel processing from the iron ore sintering process to the final metallic coating process are presented. Lastly, the most recent and future application of the FactSage thermodynamic databases to virtual steelmaking process simulations for the so-called industry 4.0 (smart factory) is highlighted.

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Section: Physical Property Models and Databasesmentioning

confidence: 99%

Computational Thermodynamic Calculations: FactSage from CALPHAD Thermodynamic Database to Virtual Process Simulation

Jung

Ende

2020

Metall Mater Trans B

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132

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“…24 The Gibbs energy of the liquid phase was prescribed using the modified quasi-chemical model (MQM) 29,30 that takes simple oxides, that is, CaO, AlO 1.5 , and SiO 2 as end-members. Pair fractions are calculated in the MQM to account for the short-range ordering in oxide melts, which are further used to describe the molar volume 25,26 and tracer diffusivities 27 in oxide melts. A brief description of the MQM is presented here.…”

Section: Thermochemical Descriptionmentioning

confidence: 99%

“…22 To minimize error and ascertain calculation consistency, the thermochemical properties 24 were calculated using the CALPHAD (CALculation of PHAse Diagrams) method. The molar volume of the silicate melts was determined using the structural molar volume model proposed by Thibodeau et al 25,26 Furthermore, we optimized the tracer diffusivities of ions based on the formula provided by Thibodeau and Jung 27 along with experimental data [9][10][11][12][13][14][15][16][17][18][19] obtained through the isotope tracer method. We examine the impact of different diffusing species by considering independent ions, coupled ions, and oxides as diffusing units.…”

Section: Introductionmentioning

confidence: 99%

Multi‐ion diffusion model and application to solid dissolution in CaO–Al₂O₃–SiO₂ melts

Kwon,

Hill,

Jung

2023

J Am Ceram Soc.

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A general multi‐ion diffusion model for liquid slag is developed for silicate melts by combining the tracer diffusivities of ions and chemical potentials from the CALculation of PHAse Diagrams thermodynamic database. For the demonstration of the model, the tracer diffusivities of Ca, Al, Si, and O ions in CaO–Al2O3–SiO2 melts were optimized as functions of temperature and composition using available isotope experimental data. The present model successfully simulates liquid‐junction diffusion in the CaO–Al2O3–SiO2 system and the dissolution of solid SiO2 and Al2O3 particles in CaO–Al2O3–SiO2 melts. Furthermore, the model can be readily expanded to multicomponent systems, making it potentially applicable to refractory dissolution in liquid slag and various other diffusion‐controlled high temperature processes involving liquid oxide melts.

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“…그림 2 [7] CaF 2 3원계 상태도에서 [8] 결정상은 커스피다인이 거의 법은 이항분포 [10] 를 가정한 간단한 예측방법으로부터, Lagrange최적화 [11] , 사슬구조를 가정한 1차원 polymer Fig. 2.…”

Section: 몰드플럭스의 구조와 조성unclassified

Controlling the Thermal and Rheological Properties of Silicate Glasses for Development of Advanced Mold Flux Systems

Cho¹

2022

Ceramist

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Development of the advanced mold flux is always mandatory to enhance both the quality and productivity of continuous casting of steels. Especially, the increasing demands for high alloy steels production and high speed casting reveals serious contradiction between two principal functions of mold flux: lubrication and controlling heat transfer. In order to overcome this problematic needs, some innovative research activities are being carried out. MAE (Mixed Alkali Effect) has been examined in alumino-borosilicate-based mold system to stabilize alkali cation and aluminum association, which enables chemically stable glassy mold flux film during casting of high alloy steels. Non-Newtonian mold fluxes could be developed by addition of Si3N4 or SiC due to the increase of stiffness of polymeric structure, which would be beneficial to satisfy the contradictory requirements of viscosity at mold top surface and mold wall. Some innovative ideas for controlling mold heat transfer without deteriorating the lubrication have been examined by dispersion of nano-size metallic particles and by modification of prenucleation motif. All these trials are closely related with glass science and engineering. Therefore, it should be highly beneficial to enhance the collaborative research activities between glass and metallurgy society for further development of advanced functional mold flux systems.

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A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

Cited by 14 publications

References 61 publications

Computational Thermodynamic Calculations: FactSage from CALPHAD Thermodynamic Database to Virtual Process Simulation

Computational Thermodynamic Calculations: FactSage from CALPHAD Thermodynamic Database to Virtual Process Simulation

Multi‐ion diffusion model and application to solid dissolution in CaO–Al₂O₃–SiO₂ melts

Controlling the Thermal and Rheological Properties of Silicate Glasses for Development of Advanced Mold Flux Systems

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A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

Cited by 14 publications

References 61 publications

Computational Thermodynamic Calculations: FactSage from CALPHAD Thermodynamic Database to Virtual Process Simulation

Computational Thermodynamic Calculations: FactSage from CALPHAD Thermodynamic Database to Virtual Process Simulation

Multi‐ion diffusion model and application to solid dissolution in CaO–Al2O3–SiO2 melts

Controlling the Thermal and Rheological Properties of Silicate Glasses for Development of Advanced Mold Flux Systems

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Multi‐ion diffusion model and application to solid dissolution in CaO–Al₂O₃–SiO₂ melts