Modeling of ionic liquid solubility in supercritical carbon dioxide + co-solvent phase predicted by ε*-modified Sanchez-Lacombe equation of state

IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL Fluid Phase Equilibria Pub Date : 2025-03-05 DOI:10.1016/j.fluid.2025.114417

Yuya Hiraga , Ikuo Ushiki

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引用次数: 0

Abstract

Supercritical fluid deposition (SCFD) using supercritical carbon dioxide (CO₂) has environmental advantages and enables the uniform and precise impregnation of ionic liquids (ILs) into porous supports. In general, the solubility of ILs in CO₂ is extremely low, but it can be greatly increased by adding a co-solvent. However, due to the diversity of IL and co-solvent combinations, models for predicting IL solubility remain limited. This study employs the ε*-modified Sanchez-Lacombe equation of state (ε*-mod SL-EoS) to predict IL solubility in supercritical CO₂ + co-solvent systems. Compared to the Peng-Robinson equation of state (PR-EoS) previously used, ε*-mod SL-EoS, derived from lattice fluid theory, has superior predictive capabilities, particularly for systems involving heavy molecules like ILs. Pure component parameters for ILs, CO₂, and co-solvents were determined through high-pressure density and vapor pressure correlations. Binary interaction parameters for IL + CO₂, CO₂ + co-solvent, and IL + co-solvent systems were fitted using available phase equilibrium data. Ternary phase equilibrium predictions using ε*-mod SL-EoS showed improved accuracy, achieving an average logarithmic AARD of 11.0%, outperforming PR-EoS (13.8%). The results highlight the ε*-mod SL-EoS as a robust predictive tool for IL solubility in CO₂-rich phases, even under dilute conditions with co-solvents, offering valuable insights for optimizing the SCFD processes.

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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.