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

Supercritical fluid deposition (SCFD) using supercritical carbon dioxide (CO 2 ) has environmental advantages and enables the uniform and precise impregnation of ionic liquids (ILs) into porous supports. In general, the solubility of ILs in CO 2 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 CO 2 + 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, CO 2 , and co-solvents were determined through high-pressure density and vapor pressure correlations. Binary interaction parameters for IL + CO 2 , CO 2 + 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 CO 2 -rich phases, even under dilute conditions with co-solvents, offering valuable insights for optimizing the SCFD processes.

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Publication Details

Journal
Fluid Phase Equilibria
Published
2025-03-05
DOI
https://doi.org/10.1016/j.fluid.2025.114417
Citations
8
Primary Topic
Phase Equilibria and Thermodynamics
Type
article
Field-Weighted Citation Impact
5.39

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article

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

Yuya Hiraga, Ikuo Ushiki
8 citations
Fluid Phase Equilibria
Phase Equilibria and Thermodynamics
5.39
article

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

Yuya Hiraga, Ikuo Ushiki
article en
8 citations

Abstract

Supercritical fluid deposition (SCFD) using supercritical carbon dioxide (CO 2 ) has environmental advantages and enables the uniform and precise impregnation of ionic liquids (ILs) into porous supports. In general, the solubility of ILs in CO 2 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 CO 2 + 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, CO 2 , and co-solvents were determined through high-pressure density and vapor pressure correlations. Binary interaction parameters for IL + CO 2 , CO 2 + 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 CO 2 -rich phases, even under dilute conditions with co-solvents, offering valuable insights for optimizing the SCFD processes.

Fluid Phase EquilibriaVol. 595
Hiroshima University (JP), Tohoku University (JP)
Japan Society for the Promotion of Science
Openalex Percentile: Top 4%
Phase Equilibria and Thermodynamics
5.39
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