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Optimizing Experimental Determination of the Tetrahedration of Isobaric–Isothermal Phase Diagrams of Four-Component Systems
Russian Journal of Physical Chemistry A ( IF 0.7 ) Pub Date : 2020-06-02 , DOI: 10.1134/s0036024420060205
V. A. Shestakov , E. V. Grachev , V. I. Kosyakov

Abstract

An algorithm and programs are developed for optimizing the experimental study of isobaric–isothermal phase diagrams of quaternary systems with constant-composition phases or phases with narrow homogeneity range. These include (a) a program for enumerating phase diagrams with phases of specified composition and (b) an algorithm and a program software for the iterative analysis of phase diagrams. At each iteration, the researcher enters experimental data into the program to obtain a list of compositions for further study. Data are presented from modeling the plotting of phase diagrams with one binary, three ternary, and one quaternary compounds. It is found that among ten given examples, the number of iterations sufficient for charting the diagram is 1 (one example), 2 (four examples), 3 (two examples), 4 (one example), and 5 (two examples).


中文翻译:

四组分系统等压-等温相图四面体的优化实验确定

摘要

开发了一种算法和程序,用于优化具有恒定组成相或均一性范围窄的相的四元系统的等压-等温相图的实验研究。其中包括(a)用于枚举具有指定组成的相位的相图的程序,以及(b)用于迭代分析相图的算法和程序软件。在每次迭代中,研究人员将实验数据输入程序中,以获得组成列表以供进一步研究。通过对具有一个二元,三个三元和一个四元化合物的相图绘图进行建模来提供数据。发现在给定的十个示例中,足以绘制该图的迭代次数为1(一个示例),2(四个示例),3(两个示例),4(一个示例)和5(两个示例)。
更新日期:2020-06-02
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