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Calculation of critical endpoints and phase diagrams of highly asymmetric binary systems
The Journal of Supercritical Fluids ( IF 3.4 ) Pub Date : 2024-10-26 , DOI: 10.1016/j.supflu.2024.106431 Francisco Adrián Sánchez, Martín Cismondi Duarte
The Journal of Supercritical Fluids ( IF 3.4 ) Pub Date : 2024-10-26 , DOI: 10.1016/j.supflu.2024.106431 Francisco Adrián Sánchez, Martín Cismondi Duarte
The computation of Global Phase Equilibrium Diagrams (GPED) for binary systems, including critical and three-phase equilibrium curves, is crucial for analyzing process conditions and assessing thermodynamic models. In the past two decades, algorithmic strategies and GPEC software have become essential tools. However, numerical problems can arise with the original algorithm for highly asymmetric systems, such as gases or water with heavy compounds or polymers, hindering the completion of GPED and related diagrams.
中文翻译:
计算高度不对称二进制系统的关键端点和相图
二元系统的全局相平衡图 (GPED) 的计算,包括临界曲线和三相平衡曲线,对于分析过程条件和评估热力学模型至关重要。在过去的二十年里,算法策略和 GPEC 软件已成为必不可少的工具。然而,对于高度不对称的系统,例如含有重化合物或聚合物的气体或水,原始算法可能会出现数值问题,从而阻碍 GPED 和相关图的完成。
更新日期:2024-10-26
中文翻译:
计算高度不对称二进制系统的关键端点和相图
二元系统的全局相平衡图 (GPED) 的计算,包括临界曲线和三相平衡曲线,对于分析过程条件和评估热力学模型至关重要。在过去的二十年里,算法策略和 GPEC 软件已成为必不可少的工具。然而,对于高度不对称的系统,例如含有重化合物或聚合物的气体或水,原始算法可能会出现数值问题,从而阻碍 GPED 和相关图的完成。