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IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL

Fluid Phase Equilibria Pub Date : 2025-02-21 DOI:10.1016/j.fluid.2025.114387

Ulrich K. Deiters

引用次数: 0

摘要

推导了等温等压条件下两相平衡的微分方程。这些方程可与流体混合物的任意状态方程（亥姆霍兹能量模型）结合使用，以计算相包络。传统计算方法通过迭代法求解描述相平衡的（非线性）代数方程，往往会出现收敛问题，而微分方程只需积分，无需求解。这样就避免了收敛问题。根据微分方程计算相位包络是一种快速、可靠的方法，在计算复杂的状态方程时非常有利。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Differential equations for fluid phase equilibria: Isothermal–isobaric case

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Differential equations for fluid phase equilibria: Isothermal–isobaric case

Differential equations for two-phase equilibria under isothermal–isobaric conditions are derived. These equations can be used in connection with arbitrary equations of state (Helmholtz energy models) for fluid mixtures to compute phase envelopes. In contrast to conventional computation methods, which solve the (nonlinear) algebraic equations describing phase equilibrium by means of iterative methods and which often suffer from convergence problems, the differential equations merely have to be integrated, but not solved. Convergence problems are thus avoided. The computation of phase envelopes from differential equations is rapid, reliable, and advantageous in connection with complicated equations of state.

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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.