摘要
利用Pandat相平衡热力学计算软件优化和计算了Ir-Pt二元相图。采用SGTE(Science Group Thermodata Europe)数据库中的表达式描述纯组元(Ir和Pt)的Gibbs自由能,采用固溶体相热力学模型描述Ir-Pt二元体系中的液相和固溶体相。利用Pandat中的PanOptimizer优化平台,并结合最新的相关数据,对Ir-Pt二元体系中各相的参数进行了优化,优化得到了Ir-Pt二元体系中各相的热力学参数。利用优化的热力学参数对Ir-Pt二元合金相图进行了计算,计算得到的相图表明调幅分解的临界点为995℃、50%Ir(摩尔分数)左右,与SGTE贵金属合金数据库所提出的Ir-Pt二元体系在相图和热力学数据上都较为吻合。
The optimization and calculation of the phase diagram of Ir-Pt binary system were presented by Pandat software. The Gibbs free energy of pure component（Ir and Pt） was described by the expression of SGTE（Science Group Thermodata Europe） database. The liquid and solid solution phases were described by using solid solution phase thermodynamic model. Using PanOptimizer optimization platform and the latest experimental data,the parameters for each phase of Ir-Pt binary system were optimized. The calculated phase diagram shows that the critical point of the spinodal decomposition is at 995℃ and 50% Ir（molar fraction）. Both calculated phase diagram and thermodynamic properties agree well with the most of relative experimental data.
出处
《热加工工艺》
CSCD
北大核心
2014年第18期79-81,共3页
Hot Working Technology
基金
国家自然科学联合基金(u0837601)
云南省创新团队项目(2009CI003)
云南省自然科学基金(2008CD087)
关键词
Pandat
热力学计算
热力学参数
调幅分解
Pandat software
thermodynamic calculations
thermodynamic parameters
spinodal decomposition
