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The Entropy of Deep Eutectic Solvent Formation.

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  • 1Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904, Israel.

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|December 3, 2020
PubMed
Summary
This summary is machine-generated.

Standard entropies of deep eutectic solvents (DESs) were calculated and compared to their components. The formation entropies (ΔfS) are positive due to increased hydrogen bonding in DESs.

Keywords:
deep eutectic solvent (DES)hydrogen bondingmolecular volumestandard entropy

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Thermodynamics

Background:

  • Deep eutectic solvents (DESs) are mixtures of hydrogen bond donors and acceptors.
  • Understanding the thermodynamic properties of DESs is crucial for their applications.
  • Standard entropies (S298°E) and formation entropies (ΔfS) provide insights into DES behavior.

Purpose of the Study:

  • To calculate the standard entropies of DESs.
  • To determine the standard entropies of DES formation (ΔfS).
  • To investigate the relationship between ΔfS and freezing point depression (ΔfusT).

Main Methods:

  • Standard entropies (S298°E) were calculated using molecular volumes derived from densities or crystal structures.
  • Pro-rated component entropies were used for comparison.
  • Calculated ΔfS values were compared with freezing point depressions (ΔfusT).

Main Results:

  • Standard entropies of DES formation (ΔfS) were found to be positive.
  • The positive ΔfS values are attributed to increased hydrogen bonding in DESs compared to their individual components.
  • No general correlation was found between ΔfS and ΔfusT.

Conclusions:

  • DES formation leads to increased entropy due to enhanced hydrogen bonding.
  • The relationship between entropy of formation and freezing point depression in DESs is complex and requires further investigation.
  • This study provides valuable thermodynamic data for DES characterization.