液相及固/液混合相区金属物态方程Grover模型存在的问题及修正

Problem and modification to the equation of state for liquid and solid-liquid mixed phase in Grover model

借助无序熵的概念,直接推导出了液相金属的物态方程.再利用固/液混合相区的熔化分数与其中固相、液相比体积之间的一般性关系,替代了传统Grover模型中采用的熔化分数与温度成正比的近似条件,得出更准确的固/液混合相区状态方程的表述形式.修正后的物态方程解决了传统Grover模型中的固线、液线以及熔化线在P-T图上不一致的问题,得到了更为符合物理事实的结果.

According to the definition of disordered entropy, we obtain the equation of state （EOS） of liquid metals. Then due to the fact that the fraction of liquid present in the mixed phase region is assumed to be not linear with temperature but linear with volume, the incorrect hypothesis of the fraction of liquid present in Grover model is clarified. The more accurate formula to express the EOS of solid-liquid mixed phase is obtained. The calculations from Grover model show that the solidus, liquidus and melting line do not coincide in the P-T graph as they should be. The modified results are shown to be in good coincidence with the three lines in the I：＇-T graph.