Thermodynamic modeling of the C–RE (RE=La, Ce and Pr) systems

灰烬 化学计量学 热力学 相图 相(物质) 材料科学 二进制系统 二进制数 纯物质热力学数据库 热力学过程 材料性能 化学 物理化学 物理 数学 算术 有机化学
作者
Yingbiao Peng,Yong Du,Lijun Zhang,Chunsheng Sha,Shuhong Liu,Feng Zheng,Dongdong Zhao,Xiaoming Yuan,Li Chen
出处
期刊:Calphad-computer Coupling of Phase Diagrams and Thermochemistry [Elsevier BV]
卷期号:35 (4): 533-541 被引量:25
标识
DOI:10.1016/j.calphad.2011.09.002
摘要

The phase diagrams and thermodynamic properties of the C–RE (RE=La, Ce and Pr) binary systems were assessed by using the CALPHAD method applied to the experimental data in the literature. In the C–RE (RE=La, Pr) systems, RE2C3 and βREC2 (high-temperature form of REC2 phase) were modeled as non-stoichiometric phases while αREC2 (low-temperature form of REC2 phase) was considered to be stoichiometric phase. For La2C3 phase, enthalpy increment (HT–H298K) information was also considered in the optimization. Due to their negligible homogeneities, intermediate compounds Ce2C3 and CeC2 in the C–Ce system, were treated as stoichiometric phases. One set of self-consistent thermodynamic parameters was finally obtained for each of these binary systems. Comparisons between calculated and measured phase diagrams as well as thermodynamic properties showed that most of the experimental information can be satisfactorily accounted for by the present thermodynamic descriptions.

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