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Article

On the Application of the FactSage Thermochemical Software and Databases in Materials Science and Pyrometallurgy

CRCT—Polytechnique Montréal, Chemical Engineering, Box 6079, Station Downtown, Montréal, QC H3C 3A7, Canada
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Processes 2020, 8(9), 1156; https://doi.org/10.3390/pr8091156
Received: 26 August 2020 / Revised: 9 September 2020 / Accepted: 9 September 2020 / Published: 15 September 2020
(This article belongs to the Special Issue Thermodynamics: Modeling and Simulation)
The discovery of new metallic materials is of prime importance for the development of new technologies in many fields such as electronics, aerial and ground transportation as well as construction. These materials require metals which are obtained from various pyrometallurgical processes. Moreover, these materials need to be synthesized under extreme conditions of temperature where liquid solutions are produced and need to be contained. The design and optimization of all these pyrometallurgical processes is a key factor in this development. We present several examples in which computational thermochemistry is used to simulate complex pyrometallurgical processes including the Hall–Heroult process (Al production), the PTVI process (Ni production), and the steel deoxidation from an overall mass balance and energy balance perspective. We also show how computational thermochemistry can assist in the material selection in these extreme operation conditions to select refractory materials in contact with metallic melts. The FactSage thermochemical software and its specialized databases are used to perform these simulations which are proven here to match available data found in the literature. View Full-Text
Keywords: FactSage; computational thermochemistry; process simulation FactSage; computational thermochemistry; process simulation
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MDPI and ACS Style

Harvey, J.-P.; Lebreux-Desilets, F.; Marchand, J.; Oishi, K.; Bouarab, A.-F.; Robelin, C.; Gheribi, A.E.; Pelton, A.D. On the Application of the FactSage Thermochemical Software and Databases in Materials Science and Pyrometallurgy. Processes 2020, 8, 1156. https://doi.org/10.3390/pr8091156

AMA Style

Harvey J-P, Lebreux-Desilets F, Marchand J, Oishi K, Bouarab A-F, Robelin C, Gheribi AE, Pelton AD. On the Application of the FactSage Thermochemical Software and Databases in Materials Science and Pyrometallurgy. Processes. 2020; 8(9):1156. https://doi.org/10.3390/pr8091156

Chicago/Turabian Style

Harvey, Jean-Philippe, Francis Lebreux-Desilets, Jeanne Marchand, Kentaro Oishi, Anya-Fettouma Bouarab, Christian Robelin, Aimen E. Gheribi, and Arthur D. Pelton 2020. "On the Application of the FactSage Thermochemical Software and Databases in Materials Science and Pyrometallurgy" Processes 8, no. 9: 1156. https://doi.org/10.3390/pr8091156

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