LogPo_2-LogPs_2′、LogPo_2-LogPso_2优势区相图的计算机算法

The Computer Algorithm for the Calculation of LogPo_2-LogPs_2′、LogPo_2-LogPso_2 Diagrams

本文采用作者提出获得优势区相图的方法,对在高温腐蚀中常用的logPO_2-log PS_2,log PO_2-log PSO_2优势区相图进行了热力学平衡关系的数学处理,使热力学问题完全转化成数学中的线性规划问题,并采用线性规划问题的计算机解法—Revised SimpleMethod编制了FORTRAN语言通用程序。此程序由于采用了合理的数学模型及新的数学解法,使其具有通用性强,准确性高,运算速度较快,尤其适合于处理更为复杂的体系等优点。作为示例,还讨论了这类优势区相图在高温腐蚀中的应用,旨在找到解决金属材料硫化的方法。

A computer program has been developed for calculating the phase diagrams of predominance areas (LOGPo2-LOGPs2, LOGPo2-LOGPso2 diagrams) by the use of the method of linear programming. The concrete equi-librum relationships of thermodynamics between substances in the LOGPo2-LOGPs2, LOGPo2-LOGPso2 diagrams has been described mathematically and all the problems of thermodynamics have been changed to the problems of linear programming completely, The general computer program of the calculation for the LOGPo2-LOGPs2, LOGPo2-LOGPso2 diagrams has been written by the use of the Revised Simplex Method which is employed for the computer to solve the problems of linear programming. This method is considerably simpler, more clear and reliable in mathematical model than previously reported methods and make use of the method of linear programming to determine the predominance areas of substances.