基于新根判别法的三次状态方程混合求解策略

IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL

Fluid Phase Equilibria Pub Date : 2025-05-11 DOI:10.1016/j.fluid.2025.114466

Jun Zhao , Luoyu Zhang , Lili Wang , Yushi Chen , Wenying Zhao , Shaohui Tao , Shuguang Xiang

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引用次数: 0

摘要

三次状态方程（ceo）是化工过程仿真中最基本、最常用的模型之一。本研究旨在探讨ceo求解方法对过程仿真速度的影响，提出一种简单快速的方法来确定单相状态下ceo的单一实根。利用该方法的优点，提出了一种基于Cardano-Tartáglia公式和牛顿-拉夫森方法（HCTNR）的混合ceo解决策略。平均计算时间约为Cardano-Tartáglia公式的37%。新方法的计算速度比著名的哈雷方法快。通过大量化工过程仿真算例验证了该方法的快速性和鲁棒性，结果表明，HCTNR在保证计算结果准确性的同时，有效提高了过程仿真的速度。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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A hybrid strategy for solving cubic equations of state based on a novel root discriminant method

The cubic equations of state (CEoS) is one of the most fundamental and popular models in chemical process simulation. This study aims to explore the impact of CEoS solution methods on the speed of process simulation and propose a simple and fast method to determine the single real root of CEoS at a single-phase state. Utilizing the advantages of this method, a hybrid CEoS solution strategy based on Cardano-Tartáglia’s formula and Newton-Raphson method (HCTNR) was developed. The average computation time is approximately 37 % of that of the Cardano-Tartáglia’s formula. The calculation speed of the new method is faster than that of the well-known Halley's method. Extensive examples of chemical process simulation were used to verify the speed and robustness of this method, and the results indicate that HCTNR can effectively improve the speed of process simulation while ensuring the accuracy of the calculation results.

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来源期刊

Fluid Phase Equilibria 工程技术-工程：化工

CiteScore

5.30

自引率

15.40%

发文量

223

审稿时长

53 days

期刊介绍： Fluid Phase Equilibria publishes high-quality papers dealing with experimental, theoretical, and applied research related to equilibrium and transport properties of fluids, solids, and interfaces. Subjects of interest include physical/phase and chemical equilibria; equilibrium and nonequilibrium thermophysical properties; fundamental thermodynamic relations; and stability. The systems central to the journal include pure substances and mixtures of organic and inorganic materials, including polymers, biochemicals, and surfactants with sufficient characterization of composition and purity for the results to be reproduced. Alloys are of interest only when thermodynamic studies are included, purely material studies will not be considered. In all cases, authors are expected to provide physical or chemical interpretations of the results. Experimental research can include measurements under all conditions of temperature, pressure, and composition, including critical and supercritical. Measurements are to be associated with systems and conditions of fundamental or applied interest, and may not be only a collection of routine data, such as physical property or solubility measurements at limited pressures and temperatures close to ambient, or surfactant studies focussed strictly on micellisation or micelle structure. Papers reporting common data must be accompanied by new physical insights and/or contemporary or new theory or techniques.