CAJ | 학술논문

运用新改进的用于短程有序体系的对近似似化学模型对LaF3-NaF体系进行了优化,并运用CALPHAD技术对相图进行了计算.改进的似化学模型用来描述体系的吉布斯自由能.借助计算机辅助分析,计算得出一些热力学函数.计算的相图和热力学参数是热力学自恰一致的.
운용신개진적용우단정유서체계적대근사사화학모형대LaF3-NaF체계진행료우화,병운용CALPHAD기술대상도진행료계산.개진적사화학모형용래묘술체계적길포사자유능.차조계산궤보조분석,계산득출일사열역학함수.계산적상도화열역학삼수시열역학자흡일치적.
The phase diagram of the LaF3-NaF system is optimized by using the new modified quasichemical model in the pair-approximation for short-range ordering and calculated with CALPHAD (Calculation of Phase Diagram) technique. This model was used to describe the Gibbs energies of liquid phase in this system. A set of thermodynamic functions has been optimized based on an interactive computer-assisted analysis. The calculated phase diagram and optimized thermodynamic parameters are thermodynamically self-consistent.