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Preparation of Binary and Ternary Deep Eutectic Systems
Published on: October 31, 2019
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Deep eutectic-water binary solvent associations investigated by vibrational spectroscopy and chemometrics
R Ahmadi1, B Hemmateenejad, A Safavi
1Department of Chemistry, College of Sciences, Shiraz University, Shiraz, 7194684795, Iran. safavi@chem.susc.ac.ir.
Physical Chemistry Chemical Physics : PCCP
|June 28, 2018
Summary
Deep eutectic solvents (DESs) like choline chloride-glycerol (GDES) exhibit unique properties when mixed with water, differing from their individual components. This study confirms DESs can act as independent solvents with distinct characteristics.
Area of Science:
- Green chemistry and sustainable solvents
- Physical chemistry of liquid mixtures
- Spectroscopy and computational modeling
Background:
- Deep eutectic solvents (DESs) are emerging as environmentally friendly alternatives to conventional solvents.
- Understanding the behavior of DESs in mixtures is crucial for their application in various chemical processes.
- Choline chloride-glycerol deep eutectic solvent (GDES) is a common natural DES whose interactions with other solvents require detailed investigation.
Purpose of the Study:
- To investigate the behavior of choline chloride-glycerol deep eutectic solvent (GDES) in the presence of water.
- To compare the interactions of GDES-water mixtures with glycerol-water mixtures.
- To determine if DESs can be considered independent solvents with unique properties.
Main Methods:
- Utilized FTIR and Raman spectroscopy combined with multivariate analysis to study solvent associations.
- Employed multivariate analysis of global data for quintuplet (GDES-water) and ternary (glycerol-water) systems.
- Performed theoretical calculations using density functional theory (DFT) and molecular dynamics (MD) simulations.
Main Results:
- The GDES-water system exhibited distinct behavior compared to its individual components (choline chloride, glycerol, and water).
- Multivariate analysis successfully resolved the complex interactions within the GDES-water and glycerol-water mixtures.
- DFT calculations revealed different hydrogen bond interaction energies for GDES and its components in the presence of water.
- MD simulations provided insights into the structural changes of GDES upon water addition.
Conclusions:
- Deep eutectic solvents like GDES can be regarded as independent solvents with unique properties, not merely mixtures of their components.
- Water significantly influences the structure and interactions within GDES.
- The study provides a comprehensive understanding of GDES-water interactions, supporting their use as novel green solvents.
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