FactSage thermochemical software and databases — recent developments

Bale, C. W.; Bélisle, Ève; Chartrand, Patrice; Decterov, Sergei A.; Eriksson, G.; Hack, Klaus; Jung, In‐Ho; Kang, Youn-Bae; Melançon, J.; Pelton, Arthur D.; Robelin, Christian; Petersen, Stephan

doi:10.1016/j.calphad.2008.09.009

Cited by 1,437 publications

(776 citation statements)

References 13 publications

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“…[8] Some comparative calculations were also done using the software packages FactSage [6] and Thermo-calc. [7] All thermodynamic Gibbs energy parameters determined in the present work are given in Table 3.…”

Section: Parameter Optimizationmentioning

confidence: 99%

“…Jung and Zhang [5] did the first full and serious thermodynamic assessment of the Si-P system in their work on the thermodynamic calculation of dephosphorization of silicon in molten slag. They modeled the liquid phase with the modified quasi-chemical model, which can only be readily used in the software FactSage, [6] but only an earlier version of that model is implemented in Thermocalc [7] and it can not be used in Pandat [8] either. In addition, there may be some typos in their published parameters.…”

Section: Introductionmentioning

confidence: 99%

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Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System

Liang

Schmid–Fetzer

2013

J. Phase Equilib. Diffus.

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A Calphad assessment of the Si-P system is performed based on critical review of all available original experimental thermodynamic and phase equilibrium data. It is demonstrated that a simple disordered substitutional solution model is sufficient for the liquid phase and that previous assumptions of short-range ordering in the Si-P liquid phase may not be justified. Alternative model descriptions for the Gibbs energy of the (Si) solid solution phase were developed to reveal the consequences in describing the largely scattering solid solubility data of P in (Si). Two alternative sets of consistently calculated phase boundaries of the (Si) phase are shown. It is impossible to reconcile the only experimental (Si) solidus data with the solvus data from the same work.

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Section: Parameter Optimizationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System

Liang

Schmid–Fetzer

2013

J. Phase Equilib. Diffus.

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“…A general description of the software and databases as well as its current modifications 8 was provided by Bale et al, 9 Specifically, the temperature and amount of liquid phase formation was investigated. The data were confronted to practical results by firing the samples at 1600°C in graphite crucibles in an electric furnace with argon atmosphere (LINN High Therm furnace HT-2100-Vac-Graphit-Special).…”

Section: Abstract: Filler Sand Free Opening Rate Refractory Steelmmentioning

confidence: 99%

Free Opening Performance of Steel Ladle as a Function of Filler Sand Properties

et al. 2016

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“…Software package "FactSage" (version 7.0, "Thermfact/CRCT", Montreal, QC, Canada and "GTT-Technologies", Aachen, Germany) [3][4][5] www.mdpi.com/journal/metals is carried out using the "Phase Diagram" module. The "Compound" module is used to creating the individual substances base.…”

Section: Thermodynamic Modelingmentioning

confidence: 99%

Thermodynamic Reassessment of the Na-Cu and Na-K Binary Systems

Trofimov

Samoilova

Зайцева

et al. 2018

Metals

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Abstract:The Na-Cu and Na-K systems are of significant interest due to the use of liquid sodium and melt of sodium and potassium in the nuclear industry as a cooling agent in nuclear reactors. In the present work, thermodynamic modeling of phase equilibria in the Na-Cu and Na-K systems is carried out, based on the available published experimental data. This modeling was done using the "FactSage" software package (version 7.0). The set of Redlich-Kister equation parameters was obtained, which allows one to describe the dependence of Gibbs energy from composition and temperature for solutions that can be formed in the studied systems. Phase diagrams (T-x diagrams) of the investigated systems were calculated.

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FactSage thermochemical software and databases — recent developments

Cited by 1,437 publications

References 13 publications

Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System

Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System

Free Opening Performance of Steel Ladle as a Function of Filler Sand Properties

Thermodynamic Reassessment of the Na-Cu and Na-K Binary Systems

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