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Thermodynamic Framework for Water in Deep Eutectic Solvents and Ionic Liquids.

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Water activity, not just content, is key for understanding deep eutectic solvents (DESs) and ionic liquids (ILs). This thermodynamic measure reveals molecular interactions and properties influenced by water in these nonaqueous solvents.

Keywords:
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Area of Science:

  • Electrochemistry
  • Physical Chemistry
  • Materials Science

Background:

  • Water content critically influences deep eutectic solvents (DESs) and ionic liquids (ILs) properties.
  • Traditional methods of controlling water content lack precision in describing molecular interactions.
  • Total water content alone is insufficient for understanding reactivity in DES- and IL-water mixtures.

Purpose of the Study:

  • To highlight water activity as a superior descriptor for DES- and IL-water mixtures.
  • To establish a thermodynamically rigorous approach for quantifying water's influence.
  • To link measurable properties to molecular interactions in these solvent systems.

Main Methods:

  • Conceptual analysis of water's role in nonaqueous solvents.
  • Thermodynamic principles applied to solvent mixtures.
  • Correlation of physical properties with molecular interactions.

Main Results:

  • Water activity provides a more rigorous quantification of water's influence than total water content.
  • Water activity directly relates to measurable physical properties (vapor pressure, density, viscosity, conductivity, electrochemical stability).
  • Water activity correlates with solvent structure and thermodynamic excess properties.

Conclusions:

  • Water activity is a critical parameter for tuning and understanding DESs and ILs.
  • This descriptor enhances the prediction and control of solvent behavior.
  • It offers a pathway to optimize solvent performance in various applications.