Study of surface tension of CO2+water and CO2+ethanol solutions from combined CPA and PC-SAFT EoSs with gradient theory and artificial neural network

IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL Fluid Phase Equilibria Pub Date : 2025-01-13 DOI:10.1016/j.fluid.2025.114338

Parisa Tabarzadi , Mohammad Niksirat , Fatemeh Aeenjan , Ariel Hernandez , Shahin Khosharay

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引用次数: 0

Abstract

The gradient theory of the interface was combined with the cubic plus association and perturbed chain statistical association fluid theory equations of state to describe the surface tension of (CO₂+ethanol) and (CO₂+water) systems. Two methods of phase equilibrium and two forms of influence parameters were applied to these systems. A novel influence parameter was also suggested for the gradient theory. The results of this study showed that the new proposed influence parameter results in the accuracy of the surface tension model. The lowest %AADs of surface tension were 2.37 and 6.02, for (CO₂+ethanol) and (CO₂+water) systems, respectively. Therefore, the accurate results of the surface tension were obtained for both systems. Then an artificial neural network model was developed to model the surface tension of the applied mixtures. The best results were obtained with 5 layers and 4 layers and using “trainlm” and “tansig” functions.

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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.