Viscosity prediction of CO<sub>2</sub>-saturated imidazolium-based ionic liquids using the <i>ε</i>*-modified Sanchez–Lacombe equation of state and free volume theory with a new correction term

Ionic liquids (ILs) have gained attention as solvents for carbon dioxide (CO<sub>2</sub>) separation and as catalysts for CO<sub>2</sub> fixation. Viscosity is a fundamental transport property of ILs because it plays a significant role in their process efficiency. In this study, a viscosity prediction model for CO<sub>2</sub>-saturated ILs was developed by combining the <i>ε</i>*-modified Sanchez-Lacombe equation of state (<i>ε</i>*-mod SL-EoS) and free volume theory (FVT) with a new correction term, <i>βx</i>', where <i>β</i> and <i>x</i>' are the correction factor and molar ratio of CO<sub>2</sub> to IL, respectively. The viscosities were predicted by incorporating the mixture density, calculated using the <i>ε</i>*-mod SL-EoS, into the FVT, and the parameters for <i>ε</i>*-mod SL-EoS and FVT were calculated by correlating the high-pressure densities and viscosities of the ILs. Although the initial deviations, which are due to the affinity between ILs and CO<sub>2</sub>, were considerable for the five imidazolium-based ILs studied in this work, they were improved by introducing <i>βx</i>'. <i>β</i> could be calculated using the solubility parameters of the ILs and CO<sub>2</sub>, without requiring correlation. The average absolute relative deviations were 6.05-35.3% in the range of <i>x</i>' < 1.0, sufficiently predicting the viscosity of the IL + CO<sub>2</sub> mixtures.

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Journal
Physical Chemistry Chemical Physics
Published
2025-01-01
DOI
https://doi.org/10.1039/d5cp01170a
Citations
1
Primary Topic
Ionic liquids properties and applications
Type
article
Field-Weighted Citation Impact
0.39

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article

Viscosity prediction of CO2-saturated imidazolium-based ionic liquids using the ε*-modified Sanchez–Lacombe equation of state and free volume theory with a new correction term

Yuya Hiraga, Masaru Watanabe, Ryohei Otani
1 citations
Physical Chemistry Chemical Physics
Ionic liquids properties and applications
0.39
article

Viscosity prediction of CO2-saturated imidazolium-based ionic liquids using the ε*-modified Sanchez–Lacombe equation of state and free volume theory with a new correction term

Yuya Hiraga, Masaru Watanabe, Ryohei Otani
article en
1 citations

Abstract

Ionic liquids (ILs) have gained attention as solvents for carbon dioxide (CO<sub>2</sub>) separation and as catalysts for CO<sub>2</sub> fixation. Viscosity is a fundamental transport property of ILs because it plays a significant role in their process efficiency. In this study, a viscosity prediction model for CO<sub>2</sub>-saturated ILs was developed by combining the <i>ε</i>*-modified Sanchez-Lacombe equation of state (<i>ε</i>*-mod SL-EoS) and free volume theory (FVT) with a new correction term, <i>βx</i>', where <i>β</i> and <i>x</i>' are the correction factor and molar ratio of CO<sub>2</sub> to IL, respectively. The viscosities were predicted by incorporating the mixture density, calculated using the <i>ε</i>*-mod SL-EoS, into the FVT, and the parameters for <i>ε</i>*-mod SL-EoS and FVT were calculated by correlating the high-pressure densities and viscosities of the ILs. Although the initial deviations, which are due to the affinity between ILs and CO<sub>2</sub>, were considerable for the five imidazolium-based ILs studied in this work, they were improved by introducing <i>βx</i>'. <i>β</i> could be calculated using the solubility parameters of the ILs and CO<sub>2</sub>, without requiring correlation. The average absolute relative deviations were 6.05-35.3% in the range of <i>x</i>' < 1.0, sufficiently predicting the viscosity of the IL + CO<sub>2</sub> mixtures.

Physical Chemistry Chemical PhysicsVol. 27(23)
Tohoku University (JP)
New Energy and Industrial Technology Development Organization
Openalex Percentile: Top 45%
Ionic liquids properties and applications
0.39
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