LAPSE:2021.0148
Published Article
LAPSE:2021.0148
On the Application of the FactSage Thermochemical Software and Databases in Materials Science and Pyrometallurgy
Jean-Philippe Harvey, Francis Lebreux-Desilets, Jeanne Marchand, Kentaro Oishi, Anya-Fettouma Bouarab, Christian Robelin, Aimen E. Gheribi, Arthur D. Pelton
March 24, 2021
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.
Keywords
computational thermochemistry, FactSage, process simulation
Subject
Suggested Citation
Harvey JP, Lebreux-Desilets F, Marchand J, Oishi K, Bouarab AF, Robelin C, Gheribi AE, Pelton AD. On the Application of the FactSage Thermochemical Software and Databases in Materials Science and Pyrometallurgy. (2021). LAPSE:2021.0148
Author Affiliations
Harvey JP: CRCT—Polytechnique Montréal, Chemical Engineering, Box 6079, Station Downtown, Montréal, QC H3C 3A7, Canada
Lebreux-Desilets F: CRCT—Polytechnique Montréal, Chemical Engineering, Box 6079, Station Downtown, Montréal, QC H3C 3A7, Canada
Marchand J: CRCT—Polytechnique Montréal, Chemical Engineering, Box 6079, Station Downtown, Montréal, QC H3C 3A7, Canada
Oishi K: CRCT—Polytechnique Montréal, Chemical Engineering, Box 6079, Station Downtown, Montréal, QC H3C 3A7, Canada [ORCID]
Bouarab AF: CRCT—Polytechnique Montréal, Chemical Engineering, Box 6079, Station Downtown, Montréal, QC H3C 3A7, Canada [ORCID]
Robelin C: CRCT—Polytechnique Montréal, Chemical Engineering, Box 6079, Station Downtown, Montréal, QC H3C 3A7, Canada [ORCID]
Gheribi AE: CRCT—Polytechnique Montréal, Chemical Engineering, Box 6079, Station Downtown, Montréal, QC H3C 3A7, Canada
Pelton AD: CRCT—Polytechnique Montréal, Chemical Engineering, Box 6079, Station Downtown, Montréal, QC H3C 3A7, Canada
Journal Name
Processes
Volume
8
Issue
9
Article Number
E1156
Year
2020
Publication Date
2020-09-15
Published Version
ISSN
2227-9717
Version Comments
Original Submission
Other Meta
PII: pr8091156, Publication Type: Journal Article
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LAPSE:2021.0148
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doi:10.3390/pr8091156
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Mar 24, 2021
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CC BY 4.0
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[v1] (Original Submission)
Mar 24, 2021
 
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Mar 24, 2021
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https://psecommunity.org/LAPSE:2021.0148
 
Original Submitter
Calvin Tsay
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