Experimental investigation and thermodynamic modeling of the (NiO + CaO + SiO 2 ), (NiO + CaO + MgO) and (NiO + CaO + MgO + SiO 2 ) systems

Prostakova, Viktoria; Jiang, Chen; Jak, Evgueni; Decterov, Sergei A.

doi:10.1016/j.jct.2015.01.017

Cited by 11 publications

(7 citation statements)

References 22 publications

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“…It is known that maximum short range ordering usually occurs at the intermediate compound with the highest melting point (congruent melting) and the minimum mixing enthalpy. This was the findings from the recent studies of Xie et al [40], Hudon and Jung [43], N.Wang [46], Protstakova et al [47]. However, it is known that no intermediate compounds in the Fe-V-O system in air melts congruently, hence the ∆g • Fe−V 2 O 3 term may have a less significant impact on the Gibbs energy of the liquid phase.…”

Section: Gas Phasesupporting

confidence: 62%

“…A Kohler-like interpolation method, which is symmetric in nature, will be used as an initial approach for estimating thermodynamic properties and phase diagram data from binary model parameters. This interpolation method is based on the assumption that all components are chemically similar and had previously successfully described slag phases of higher order systems [48,7,49,50,51].…”

Section: Gas Phasementioning

confidence: 99%

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Phase equilibria and thermodynamic evaluation of the Fe-V-O system in air

Malan

Akdogan

Taskinen

et al. 2018

Calphad

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The Fe-V-O system in air was studied experimentally ranging from 700 • C to 1450 • C by high-temperature equilibration, quenching, scanning electron microscope and microprobe analysis. The thermodynamic evaluation was performed with FactSage 7.0. The solubility of V 2 O 5 (s) in Fe 2 O 3 (s) was described with the compound energy formalism. The properties of the liquid phase were described with both the quasichemical model and the associate species model. A set of self-consistent thermodynamic parameters were estimated within acceptable error limits. The calculated phase diagram of Fe-V-O in air is presented and compared to experimental observations and other literature data.

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Section: Gas Phasesupporting

confidence: 62%

Section: Gas Phasementioning

confidence: 99%

Phase equilibria and thermodynamic evaluation of the Fe-V-O system in air

Malan

Akdogan

Taskinen

et al. 2018

Calphad

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“…This interpolation method is used as first approach in this study to estimate thermodynamic properties and phase diagram data from binary model parameters. It has been shown that a Kohler interpolation method has been successful in describing slag phases of higher order systems [39,30,40,41,42].…”

Section: Modelling Of the Liquid Phasementioning

confidence: 99%

“…Ti 4+ −V 2 O 4+ 3term becomes significant at composition of maximum short range ordering. It is known that maximum short range ordering usually occurs at the intermediate compound with the highest melting point (congruent melting) and the minimum mixing enthalpy[32,28,37,38]. However, it was supported experimentally that no intermediate compounds exist in the Ti-V-O system in air.…”

mentioning

confidence: 99%

Phase equilibria and thermodynamic evaluation of the Ti-V-O system in air

Malan

Akdogan

Taskinen

et al. 2018

Calphad

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The Ti-V-O system was studied experimentally from 700 • C to 1500 • C by high-temperature equilibration, quenching, scanning electron microscope and Energy-Dispersive X-Ray spectroscopy. The solubility of titanium in the slag is less than 3 mole % at 1500 • C and the vanadium solubility in the rutile phase reached a maximum of 7.8 mole % at 1400 • C. The thermodynamic evaluation was performed with FactSage 7.0. The solubility of vanadium in the rutile phase was developed within the framework of the compound energy formalism. The properties of the liquid phase were described with the quasichemical model. A set of self-consistent thermodynamic parameters was estimated well within acceptable limits. The calculated phase diagram of the Ti-V-O system in air is presented and compared to experimental observations and other phase diagram data from literature.

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“…The addition of NiO to the oxide database was done for simulation of nickel extraction from laterite ores. It required a combination of experimental and modeling work [37][38][39][40].…”

Section: Components Of the Thermodynamic Database For Oxide Systemsmentioning

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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Experimental investigation and thermodynamic modeling of the (NiO + CaO + SiO 2 ), (NiO + CaO + MgO) and (NiO + CaO + MgO + SiO 2 ) systems

Cited by 11 publications

References 22 publications

Phase equilibria and thermodynamic evaluation of the Fe-V-O system in air

Phase equilibria and thermodynamic evaluation of the Fe-V-O system in air

Phase equilibria and thermodynamic evaluation of the Ti-V-O system in air

Thermodynamic database for multicomponent oxide systems

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