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Gibbs Energy Modeling of the Cu-S Liquid Phase: Completion of the Thermodynamic Calculation of the Cu-S System
Metallurgical and Materials Transactions B ( IF 2.4 ) Pub Date : 2020-02-20 , DOI: 10.1007/s11663-020-01796-x
Peter Waldner

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 $$ {\text{log(}}p_{{{\text{S}}2}} /{\text{bar)}} - 1 /T $$ 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.

中文翻译:

Cu-S 液相的 Gibbs 能量模型:完成 Cu-S 系统的热力学计算

为优化铜硫液相在 1 bar 总压力下的吉布斯能量,对所有从文献中获得的实验硫势和相图数据进行了全面审查和批判性评估。扩展的修正准化学模型作为二元 Cu-S 溶液在整个组成范围内的吉布斯能量的数学表达式的基础。从高金属、富硫到纯硫,结构通用的熔融相由单个吉布斯能量函数同时描述。结合最近发表的所有 Cu-S 固相的 Gibbs 能量,完整的 T-x 相图以及第一次 $$ {\text{log(}}p_{{{\text{S} }2}} /{\text{bar)}} - 1 /T $$ log( p S 2 / bar) - 1 / T 图计算。
更新日期:2020-02-20
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