Gibbs Energy Modeling of the Cu-S Liquid Phase: Completion of the Thermodynamic Calculation of the Cu-S System
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in: Metallurgical and materials transactions. B, Process metallurgy and materials processing science, Jahrgang 51.2020, Nr. 2, 20.02.2020, S. 805-817.
Publikationen: Beitrag in Fachzeitschrift › Artikel › Forschung › (peer-reviewed)
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TY - JOUR
T1 - Gibbs Energy Modeling of the Cu-S Liquid Phase: Completion of the Thermodynamic Calculation of the Cu-S System
AU - Waldner, Peter
N1 - Publisher Copyright: © 2020, The Author(s).
PY - 2020/2/20
Y1 - 2020/2/20
N2 - A thorough review and critical evaluation of all experimental sulfur potential and phase diagram data available from the literature has been made for optimizing the Gibbs energy of the copper-sulfur liquid phase at 1 bar total pressure. The extended modified quasichemical model serves as a basis for the mathematical expression of the Gibbs energy of binary Cu-S solutions over the complete composition range. A structurally versatile molten phase ranging from highly metallic via sulfur-rich to pure sulfuric is described simultaneously by a single Gibbs energy function. In combination with the recently published Gibbs energies of all Cu-S solid phases, the complete T–x phase diagram as well as for the first time the log(p S 2/ bar) - 1 / T diagram is calculated. A limited set of obtained model parameters reproduces a large body of data within experimental uncertainties.
AB - A thorough review and critical evaluation of all experimental sulfur potential and phase diagram data available from the literature has been made for optimizing the Gibbs energy of the copper-sulfur liquid phase at 1 bar total pressure. The extended modified quasichemical model serves as a basis for the mathematical expression of the Gibbs energy of binary Cu-S solutions over the complete composition range. A structurally versatile molten phase ranging from highly metallic via sulfur-rich to pure sulfuric is described simultaneously by a single Gibbs energy function. In combination with the recently published Gibbs energies of all Cu-S solid phases, the complete T–x phase diagram as well as for the first time the log(p S 2/ bar) - 1 / T diagram is calculated. A limited set of obtained model parameters reproduces a large body of data within experimental uncertainties.
UR - http://www.scopus.com/inward/record.url?scp=85081178598&partnerID=8YFLogxK
U2 - 10.1007/s11663-020-01796-x
DO - 10.1007/s11663-020-01796-x
M3 - Article
VL - 51.2020
SP - 805
EP - 817
JO - Metallurgical and materials transactions. B, Process metallurgy and materials processing science
JF - Metallurgical and materials transactions. B, Process metallurgy and materials processing science
SN - 1073-5615
IS - 2
ER -
