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LogPo2-LogPs2>'、LogPo2-LogPso2優勢區相圖的計算機算法

The Computer Algorithm for the Calculation of LogPo2-LogPs2、LogPo2-LogPso2 Diagrams

  • 摘要: 本文采用作者提出獲得優勢區相圖的方法,對在高溫腐蝕中常用的logPO2-log PS2,log PO2-log PSO2優勢區相圖進行了熱力學平衡關系的數學處理,使熱力學問題完全轉化成數學中的線性規劃問題,并采用線性規劃問題的計算機解法-Revised Simple Method編制了FORTRAN語言通用程序。此程序由于采用了合理的數學模型及新的數學解法,使其具有通用性強,準確性高,運算速度較快,尤其適合于處理更為復雜的體系等優點。作為示例,還討論了這類優勢區相圖在高溫腐蝕中的應用,旨在找到解決金屬材料硫化的方法。

     

    Abstract: 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 equilibrum 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.

     

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