以改进的“中心原子”模型计算Ag-Cu相图

CALCULATION OF Ag-Cu DIAGRAM FROM MODIFIED CENTRAL ATOMS MODEL

简化并推导了“中心原子”模型公式，使其在形式和参数意义上更接近普通热力学计算相图公式．在新模型中，A-B二元系合金第6个原子态状态量与组态的状态量之差不必与成正比（i表示α原子周围最近邻有i个B原子），而各原子态在合金中存在的几率之和Pα等于α组元在合金中活度系数的倒数采用修改后的“中心原子”模型公式计算了Ag-Cu相图及其热力学性质，计算结果与测量结果接近．

The equations of the central atoms (CA) model are simplified and derivatived in this paper. The new equations are similiar to the equations of ordinary thermodynamic models used usually, the static value difference between the i atomic state and is not need in proportion to, where i denoted there are i atoms B in the nearest neibouring shell of central atom or. The total of the probability of every atomic state, Pa equals to the reciprocal of activity coefficient of component a. The Ag-Cu diagram and its thermodynamic properties are calculated by this model, and the results coincide well with experimental values.