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Preparation of Binary and Ternary Deep Eutectic Systems
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Polyol-based deep eutectic solvents: betaine versus choline chloride.

Gabriel Teixeira1, Dinis O Abranches1, Gangqiang Yu2,3

  • 1CICECO - Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, Campus Universitário de Santiago, Aveiro, Portugal.

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Summary

Betaine shows potential as a choline chloride substitute in polyol-based deep eutectic solvents (DES). However, betaine-polyol mixtures offer a narrower liquid phase window for room-temperature applications compared to choline chloride systems.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Thermodynamics

Background:

  • Deep eutectic solvents (DES) are tunable solvent systems with diverse applications.
  • Choline chloride is a common hydrogen bond acceptor in polyol-based DES.
  • Investigating alternative hydrogen bond acceptors is crucial for expanding DES applications.

Purpose of the Study:

  • To evaluate betaine as a potential substitute for choline chloride in polyol-based DES.
  • To determine the solid-liquid equilibrium (SLE) phase diagrams of betaine-polyol mixtures.
  • To compare the phase behavior and properties of betaine-based DES with those of choline chloride-based DES.

Main Methods:

  • Experimental measurement of solid-liquid equilibrium (SLE) phase diagrams for binary mixtures of betaine with various polyols (ethylene glycol, 1,3-propanediol, glycerol, meso-erythritol, xylitol, sorbitol).
  • Utilizing the COSMO-RS thermodynamic model to predict phase behavior and deviations from ideality.
  • Analysis of thermal degradation, boiling points, and viscosity limitations during experimental measurements.

Main Results:

  • Betaine exhibited negative deviations from ideality in mixtures with polyols, while polyols showed near-ideal behavior.
  • COSMO-RS successfully predicted the observed deviations and phase behavior.
  • Betaine-polyol mixtures resulted in a narrower liquid-phase window compared to choline chloride systems.
  • Stronger interactions between betaine and polyols than with choline chloride were inferred, leading to more negative deviations.

Conclusions:

  • Betaine can form polyol-based DES, but with limitations in the liquid-phase window for room-temperature applications.
  • The thermodynamic model COSMO-RS is a reliable tool for predicting the phase behavior of these systems.
  • The observed differences in phase behavior are attributed to the distinct interaction strengths and enthalpies of fusion between betaine and polyols compared to choline chloride.