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A strategy to compute critical surfaces in highly asymmetrical ternary systems
The Journal of Supercritical Fluids ( IF 3.9 ) Pub Date : 2024-03-12 , DOI: 10.1016/j.supflu.2024.106228
G.O. Pisoni , M. Cismondi , M.S. Zabaloy

This work shows that predicting, using a model, the topology and even the existence range of the critical behavior in an asymmetrical ternary system, is practically impossible without a systematic strategy to build through computations the ternary critical surface (T-CS). For this purpose, it is necessary to have robust calculation procedures to compute such surfaces. In this work, a calculation strategy to compute ternary critical lines (T-CLs) is developed. The computed critical surfaces for two different ternary systems are studied. In particular, the topology of these surfaces is analysed. First, a system with a relatively simple behavior is studied. Then, the strategies developed are tested for a system with complex behavior. In addition, the boundaries of a ternary critical surface (T-CS) are established, and it is described how to start the calculation of a T-CL (or a set of T-CLs) from a point on any of the established boundaries.

中文翻译:

计算高度不对称三元系统中临界表面的策略

这项工作表明,如果没有通过计算构建三元临界面(T-CS)的系统策略,使用模型、拓扑甚至非对称三元系统中临界行为的存在范围进行预测实际上是不可能的。为此,需要有强大的计算程序来计算此类表面。在这项工作中,开发了一种计算三元临界线(T-CL)的计算策略。研究了两种不同三元系统的计算临界表面。特别是,分析了这些表面的拓扑结构。首先,研究具有相对简单行为的系统。然后,针对具有复杂行为的系统测试所开发的策略。此外,还建立了三元临界面(T-CS)的边界,并描述了如何从任何已建立边界上的点开始计算 T-CL(或一组 T-CL) 。
更新日期:2024-03-12
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