Solubility Behavior of CO2 in Ionic Liquids Based on Ionic Polarity Index Analyses

Liu, Xiaoyang; O’Harra, Kathryn E.; Bara, Jason E.; Turner, C. Heath

doi:10.1021/acs.jpcb.1c01508

Solubility Behavior of CO₂ in Ionic Liquids Based on Ionic Polarity Index Analyses

Journal Article · Fri Apr 02 00:00:00 EDT 2021 · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry

DOI:https://doi.org/10.1021/acs.jpcb.1c01508· OSTI ID:1772298

^[1]; O’Harra, Kathryn E. ^[2]; ^[2]; ^[2]

Univ. of Alabama, Tuscaloosa, AL (United States); Department of Chemical and Biological Engineering, The University of Alabama
Univ. of Alabama, Tuscaloosa, AL (United States)

Ionic liquids (ILs) can serve as effective CO₂ solvents with an appropriate selection of different anions and cations. However, due to the large library of potential IL compositions, rapid screening methods are needed for characterizing and ranking the expected properties. We have recently proposed the ionic polarity index (IPI) parameter, effectively connecting volume-based approaches and electrostatic potential analyses, providing a single metric that can potentially be used to rapidly screen for desirable IL properties. In this work, the corresponding anion and cation IPIs are used to generate correlations with respect to the CO₂ volumetric solubility in ILs. The relationships are generally applicable to groups of ILs within a homologous ion series, and this can be particularly valuable for pre-screening different ion pairings for maximizing gas solvation performance.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Alabama, Tuscaloosa, AL (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0018181

OSTI ID:: 1772298

Alternate ID(s):: OSTI ID: 1830657

Journal Information:: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry, Journal Name: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry Journal Issue: 14 Vol. 125; ISSN 1520-6106

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Solubility Behavior of CO2 in Ionic Liquids Based on Ionic Polarity Index Analyses

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Solubility Behavior of CO₂ in Ionic Liquids Based on Ionic Polarity Index Analyses