摘要
采用相图计算(CALPHAD:Calculation of phase diagrams)方法对Zr-X(X=Li,Na,K,Sc,Hf)5个二元体系进行了相图热力学研究.基于实验数据,通过热力学优化计算获得了一套描述液相及(αZr),(βZr),(Li),(Na),(K),(αSc),(βSc),(αHf)和(βHf)相的热力学参数.Zr-Li,Zr-Na和Zr-K体系中的气相视为理想气体.与实验相图数据对比发现,本文获得的热力学参数能够准确地描述实验相平衡数据.
The Zr-X（ X = Li,Na,K,Sc,Hf） systems were studied with the calculation of phase diagrams（ CALPHAD） approach. A set of the thermodynamic parameters of the liquid,（ αZr）,（ βZr）,（ Li）,（ Na）,（ K）,（ αSc）,（ βSc）,（ αHf） and（ βHf） phases was obtained based on the critical review of the available experimental data. The gas phase for the three binary systems,i. e. Zr-Li,Zr-Na and Zr-K,was treated with the ideal gas model. Comparisons between the calculated and measured phase diagrams show that the experimental phase equilibria information is satisfactorily accounted for by the present thermodynamic description.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
2015年第10期1939-1944,共6页
Chemical Journal of Chinese Universities
基金
国家重大基础研究发展计划(批准号:2011CB610401)
国家自然科学基金(批准号:21201006
51501002)
安徽理工大学引进人才科研启动基金(批准号:ZX979)资助~~
