Design of Ionic Liquids for Fluorinated Gas Absorption: COSMO-RS Selection and Solubility Experiments

Júlio E. Sosa, Rubén Santiago, Andres E. Redondo, Jocasta Avila, Luiz F. Lepre, Margarida Costa Gomes, João M. M. Araújo, José Palomar, Ana B. Pereiro

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23 Citations (Scopus)
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In recent years, the fight against climate change and the mitigation of the impact of fluorinated gases (F-gases) on the atmosphere is a global concern. Development of technologies that help to efficiently separate and recycle hydrofluorocarbons (HFCs) at the end of the refrigeration and air conditioning equipment life is a priority. The technological development is important to stimulate the F-gas capture, specifically difluoromethane (R-32) and 1,1,1,2-tetrafluoroethane (R-134a), due to their high global warming potential. In this work, the COSMO-RS method is used to analyze the solute-solvent interactions and to determine Henry's constants of R-32 and R-134a in more than 600 ionic liquids. The three most performant ionic liquids were selected on the basis of COSMO-RS calculations, and F-gas absorption equilibrium isotherms were measured using gravimetric and volumetric methods. Experimental results are in good agreement with COSMO-RS predictions, with the ionic liquid tributyl(ethyl)phosphonium diethyl phosphate, [P2444][C2C2PO4], being the salt presenting the highest absorption capacities in molar and mass units compared to salts previously tested. The other two ionic liquids selected, trihexyltetradecylphosphonium glycinate, [P66614][C2NO2], and trihexyl(tetradecyl)phosphonium 2-cyano-pyrrole, [P66614][CNPyr], may be competitive as far as their absorption capacities are concerned. Future works will be guided on evaluating the performance of these ionic liquids at an industrial scale by means of process simulations, in order to elucidate the role in process efficiency of other relevant absorbent properties such as viscosity, molar weight, or specific heat.

Original languageEnglish
Pages (from-to)5898-5909
Number of pages11
JournalEnvironmental Science and Technology
Issue number9
Publication statusPublished - 3 May 2022


  • absorption processes
  • fluorinated gases
  • greenhouse gases
  • ionic liquids


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