A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts

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

doi:10.1007/s11663-015-0549-x

Cited by 9 publications

(3 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…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

Self Cite

132

View full text Add to dashboard Cite

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.

show abstract

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

Self Cite

132

View full text Add to dashboard Cite

show abstract

“…The thermodynamic description of the Fe–O system in FactSage is based on the critical evaluation and optimization of the Fe–O system by Hidayat et al In their optimization, the Gibbs energy of the liquid solution was modeled using the modified quasichemical model (MQM), which considers the short-range ordering between components in the liquid phase. Moreover, as information on the structure of the melt can be directly obtained from the thermodynamic description of the melt using the MQM implemented in FactSage, structural viscosity , and molar volume models were successfully developed for multicomponent oxide melts. In this study, these models were used to calculate the viscosity and density of liquid FeO.…”

Section: Methodsmentioning

confidence: 99%

Effect of Fe–O ReaxFF on Liquid Iron Oxide Properties Derived from Reactive Molecular Dynamics

Thijs,

Kritikos,

Giusti

et al. 2023

J. Phys. Chem. A

View full text Add to dashboard Cite

As iron powder nowadays attracts research attention as a carbon-free, circular energy carrier, molecular dynamics (MD) simulations can be used to better understand the mechanisms of liquid iron oxidation at elevated temperatures. However, prudence must be practiced in the selection of a reactive force field. This work investigates the influence of currently available reactive force fields (ReaxFFs) on a number of properties of the liquid iron–oxygen (Fe–O) system derived (or resulting) from MD simulations. Liquid Fe–O systems are considered over a range of oxidation degrees Z O , which represents the molar ratio of O/(O + Fe), with 0 < Z O < 0.6 and at a constant temperature of 2000 K, which is representative of the combustion temperature of micrometric iron particles burning in air. The investigated properties include the minimum energy path, system structure, (im)miscibility, transport properties, and the mass and thermal accommodation coefficients. The properties are compared to experimental values and thermodynamic calculation results if available. Results show that there are significant differences in the properties obtained with MD using the various ReaxFF parameter sets. Based on the available experimental data and equilibrium calculation results, an improved ReaxFF is required to better capture the properties of a liquid Fe–O system.

show abstract

“…The incomplete burnt pulverized coal containing residual carbon and a large amount of coal ash was mixed with preheated pellet powder, which would produce local reducing atmosphere to form low-melting-temperature compounds by residual carbon combustion during the roasting process [9,10]. These compounds are usually composed of Fe, Ca, Si, Al, K and Na, which have melting temperatures below 1673 K [11] and melt into the liquid phase in the high-temperature region of the rotary kiln [12,13]. Due to the better fluidity, the liquid phase is continuously depositing onto the brick surface.…”

Section: Introductionmentioning

confidence: 99%

The Deposit Formation Mechanism in Coal-Fired Rotary Kiln for Iron Ore Pellet Production: A Review

Wang

Guo

et al. 2021

Crystals

View full text Add to dashboard Cite

The deposit-forming problem is one of the main bottlenecks restricting the yield and production benefit of iron ore pellets produced by coal-fired rotary kilns. In order to implement measures to ensure the efficient production of pellets by coal-fired rotary kilns, the mechanism and influencing factors on the deposit formation were reviewed. The pellet powder and coal ash come together to form the material base of the deposit. Meanwhile, the local reducing atmosphere caused by the continued combustion of residual carbon increases the FeO content, resulting in the formation of low-melting-point silicates. Moreover, alkali metal elements in coal ash can also promote liquid phase formation to cause serious deposit aggregation problems. During high-temperature roasting, the liquid phase corrodes the surface of the refractory brick to form the initial deposit, whereafter, it binds the pellet powder and coal ash from the material layer, which causes the deposit to accumulate continuously. The deposit formation of coal-fired rotary kilns is the result of interaction between many factors, which includes the quality of the green pellets, the composition of coal ash, the combustion efficiency of pulverized coal, roasting temperature, FeO content and alkali metal input. Finally, it is recommended that some measures to mitigate deposit formation can be adopted, such as increasing the compression strength of preheated pellets, choosing high-quality raw materials with low alkali metals, improving the combustion of pulverized coal.

show abstract

A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts

Cited by 9 publications

References 31 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

Effect of Fe–O ReaxFF on Liquid Iron Oxide Properties Derived from Reactive Molecular Dynamics

The Deposit Formation Mechanism in Coal-Fired Rotary Kiln for Iron Ore Pellet Production: A Review

Contact Info

Product

Resources

About