{"title":"Differential equations for fluid phase equilibria: Isothermal–isobaric case","authors":"Ulrich K. Deiters","doi":"10.1016/j.fluid.2025.114387","DOIUrl":null,"url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114387"},"PeriodicalIF":2.8000,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Fluid Phase Equilibria","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0378381225000573","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
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.
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.
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