Year 2023

• Free volume in physical absorption of carbon dioxide in ionic liquids: Molecular dynamics supported modeling

  Publication

  • J. Eichenlaub
  • K. Baran
  • M. Śmiechowski
  • A. Kloskowski

  - SEPARATION AND PURIFICATION TECHNOLOGY - Year 2023

  Understanding the mechanisms underlying the carbon dioxide (CO2) absorption in ionic liquids (ILs) is the key to their efficient utilization in industrial flue gas treatment. One of the parameters considered substantially important in the process is the Free Volume. In this study, the Fractional Free Volume (FFV) of 73 ILs was calculated using Molecular Dynamics (MD). A quantitative Structure-Property Relationship (QSPR) study...

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Year 2022

• User-assisted methodology targeted for building structure interpretable QSPR models for boosting CO2 capture with ionic liquids

  Publication

  • J. Eichenlaub
  • P. Rakowska
  • A. Kloskowski

  - JOURNAL OF MOLECULAR LIQUIDS - Year 2022

  Task-specific ionic liquid (IL) is an emerging class of compounds that may be environmentally friendly. Properly selected, these compounds may be green alternative to amine solutions and can replace them in post-combustion carbon dioxide (CO2) capture processes on an industrial scale. However, owing to the vast diversity of ions and their possible combinations, laboratory research is time consuming and expensive. Therefore, computational...

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Year 2020

• Measurements of Activity Coefficients at Infinite Dilution for Organic Solutes in the Ionic Liquids N-Ethyl- and N-Octyl-N-methylmorpholinium Bis(trifluoromethanesulfonyl)imide. A Useful Tool for Solvent Selection

  Publication

  • Ł. Marcinkowski
  • J. Eichenlaub
  • E. Ghasemi
  • Ż. Polkowska
  • A. Kloskowski

  - MOLECULES - Year 2020

  In recent years, many papers describing ionic liquids (IL) as promising solvents in separation techniques have been published. The conscious choice of appropriate ionic liquid as absorption media in effective extraction of selected types of analytes requires deeper understanding of the analyte−IL interactions. Therefore, intensive research is conducted to determine the values of activity coefficient at infinite dilution, which...

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