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An improved reduction method for phase stability testing in the single-phase region
Open Chemistry ( IF 2.3 ) Pub Date : 2020-11-05 , DOI: 10.1515/chem-2020-0173
Dan Vladimir Nichita 1 , Catinca Secuianu 2
Affiliation  

Abstract A new reduction method for mixture phase stability testing is proposed, consisting in Newton iterations with a particular set of independent variables and residual functions. The dimension of the problem does not depend on the number of components but on the number of components with nonzero binary interaction parameters in the equation of state. Numerical experiments show an improved convergence behavior, mainly for the domain located outside the stability test limit locus in the pressure–temperature plane, recommending the proposed method for any applications in which the problematic domain is crossed a very large number of times during simulations.

中文翻译:

单相区相稳定性测试的一种改进还原方法

摘要 提出了一种用于混合相稳定性测试的新约简方法,包括具有一组特定自变量和残差函数的牛顿迭代。问题的维度不取决于组件的数量,而是取决于状态方程中具有非零二元交互参数的组件的数量。数值实验显示了改进的收敛行为,主要针对位于压力 - 温度平面中稳定性测试极限轨迹之外的域,建议将所提出的方法用于在模拟过程中跨越大量问题域的任何应用。
更新日期:2020-11-05
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