| 一种计算平衡相图的新方法 |
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| 引用本文： | Delaey,L 李麟.一种计算平衡相图的新方法[J].上海大学学报(自然科学版),1995,1(5):504-508. |
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| 作者姓名： | Delaey L 李麟 |
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| 作者单位： | 上海大学 |
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| 摘 要： | 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的不足之处，该法适宜于寻求复杂二、三体系的稳定解。
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| 关 键 词： | 数值方法 相图 计算 数值计算 程序 相平衡 |
A New Method for the Calculation of Stable Phase Diagram |
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| Li Lin.A New Method for the Calculation of Stable Phase Diagram[J].Journal of Shanghai University(Natural Science),1995,1(5):504-508. |
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| Authors: | Li Lin |
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| Abstract: | Numerical methods commonly used in the world for the calculating phase diagram were listed and analyzed in the present work. A new method to calculate stable phase diagram is presented which possesses the advantages of both the Newton-Raphson method(for solving nonlinear equations of n variables) and the simplex method(for minimizing the total Gibbs energy).This method is suitable for the calculation of the stable equilibria in complicated systems. |
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| Keywords: | numerical method phase diagram calculation |
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