列举了当前国际上一些主要相图计算程序的数值计算方法，即牛顿－拉夫森迭代法和单纯形法．分析了这些方法的优缺点，并提出了一种新的计算方法．该法既具有解几个变量的非线性方程组的牛顿－拉夫森法的优点，也具有可优化体系自由能的单纯形法的优点，并且避开了上述两法在计算相图时的不足之处．该法适宜于寻求复杂二、三元体系的稳定解． The current numerical methods for calculating some major phase diagrams in the world are listed, which are Newton-Raphson iteration method and simplex method. The advantages and disadvantages of these methods are analyzed and a new calculation method is proposed. This method not only has the advantages of the Newton-Raphson method but also the simplex method which can optimize the free energy of the system, and avoids the shortcomings of the above two methods when calculating the phase diagram Where. The method is suitable for seeking a complex two, ternary system of stable solution.