Hydrophobic Deep Eutectic Solvents for the Recovery of Bio-Based Chemicals: Solid–Liquid Equilibria and Liquid–Liquid Extraction
Abstract
:1. Introduction
2. Materials and Methods
2.1. Materials
2.2. Experimental and Analytical Methods
2.2.1. Melt Point Determination (Cloud Point)
2.2.2. Liquid–Liquid Extraction Experiments
2.2.3. HPLC
2.2.4. Karl Fischer Titration
2.2.5. Definitions
2.3. Modeling
3. Results
3.1. Solid–Liquid Equilibria (SLE)
3.2. Liquid–Liquid Extraction (LLX)
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
Nomenclature
BP86 | Becke and Pedrew functional level of theory |
COSMO-RS | Conductor-like screening model for real solvents |
Cyrene | Dihydrolevoglucosenone |
ΔmH | Melting enthalpy (kJ mol−1) |
DES | Deep eutectic solvent |
DFT | Density functional theory |
Fur | Furfural |
γi | Activity coefficient of compound i |
KD | Distribution coefficient (-) |
LLX | Liquid–liquid extraction |
R | Universal gas constant (8.3145 J mol−1 K−1) |
Sij | Selectivity of compound i over j |
SLE | Solid–liquid equilbrium |
T | Absolute temperature |
Tm | Melting temperature |
TOPO | trioctylphosphine oxide |
TZVP | triple-ζ valence polarized basis set |
xi | Molar fraction of compound i |
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Brouwer, T.; Dielis, B.C.; Bock, J.M.; Schuur, B. Hydrophobic Deep Eutectic Solvents for the Recovery of Bio-Based Chemicals: Solid–Liquid Equilibria and Liquid–Liquid Extraction. Processes 2021, 9, 796. https://doi.org/10.3390/pr9050796
Brouwer T, Dielis BC, Bock JM, Schuur B. Hydrophobic Deep Eutectic Solvents for the Recovery of Bio-Based Chemicals: Solid–Liquid Equilibria and Liquid–Liquid Extraction. Processes. 2021; 9(5):796. https://doi.org/10.3390/pr9050796
Chicago/Turabian StyleBrouwer, Thomas, Bas C. Dielis, Jorrit M. Bock, and Boelo Schuur. 2021. "Hydrophobic Deep Eutectic Solvents for the Recovery of Bio-Based Chemicals: Solid–Liquid Equilibria and Liquid–Liquid Extraction" Processes 9, no. 5: 796. https://doi.org/10.3390/pr9050796