Phase equilibrium calculations with specified vapor fraction

IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL

Fluid Phase Equilibria Pub Date : 2024-11-04 DOI:10.1016/j.fluid.2024.114274

Estefânia Pintor Canzian , Arley Alles Cruz , Ricardo Augusto Mazza , Luís Fernando Mercier Franco

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引用次数: 0

Abstract

Phase equilibrium calculations have been extensively explored over the years, with numerous industrial applications, where pressure and temperature specifications are the most common. Different problems, however, may require different specifications for solving phase equilibrium. This article aims to develop a flash calculation with specified temperature or pressure and vapor fraction, termed

ψ

β

-flash, which can be useful in studies of storage tanks and distillation columns. An algorithm is developed with an external loop for pressure or temperature optimization and an inner loop for the isobaric–isothermal-flash calculation. The method is efficient in predicting pressure for different binary and ternary mixtures, including refrigerants, hydrocarbons, and carbon dioxide, even in complex scenarios such as regions with retrograde condensation. The computational demand is investigated, revealing that calculations within the isobaric–isothermal-flash primarily contribute to the total computational cost, rather than pressure optimization. Finally, two case studies highlight the method’s efficiency: one involving a spherical storage tank, where we compute pressures based on liquid height to classify the safe operational region, and another focusing on a distillation tray, predicting temperatures driven by changes in liquid height to provide insights into separation performance.

Abstract Image

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指定蒸汽分数的相平衡计算

多年来，人们对相平衡计算进行了广泛的探索，并将其应用于众多工业领域，其中压力和温度规格是最常见的。然而，不同的问题可能需要不同的相平衡求解规格。本文旨在开发一种具有指定温度或压力和蒸汽分数的闪蒸计算方法，称为 ψ β-闪蒸，可用于储罐和蒸馏塔的研究。所开发的算法具有一个用于压力或温度优化的外循环和一个用于等压等温闪蒸计算的内循环。该方法能有效预测不同二元和三元混合物（包括制冷剂、碳氢化合物和二氧化碳）的压力，即使在逆向冷凝等复杂情况下也是如此。对计算需求进行了研究，发现等压-等温-闪蒸内的计算是造成总计算成本的主要原因，而不是压力优化。最后，两个案例研究凸显了该方法的效率：一个涉及球形储罐，我们根据液体高度计算压力，以划分安全操作区域；另一个侧重于蒸馏盘，预测液体高度变化引起的温度，以深入了解分离性能。

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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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.