Options
Properties of AlCl3 guanidine deep eutectic solvent with addition of polyethylene oxide of different molecular weights supported by quantum-chemical calculation
Citation Link: https://doi.org/10.15480/882.15164
Publikationstyp
Journal Article
Date Issued
2024-08
Sprache
English
Author(s)
TORE-DOI
Journal
Volume
96
Article Number
112665
Citation
Journal of energy storage 96: 112665 (2024)
Publisher DOI
Publisher
Elsevier BV
Deep eutectic solvent of AlCl3 with guanidine HCl was synthesized in the molar ratio 3:1 in the presence of polyethylene glycols of various molecular weights from 1500 to 5⋅106 g/mol. Concentration of polymer was 2.5 %, 5 % and 10 %. Temperature dependence between 25 and 70 ◦C of conductivity of each electrolyte was calculated from the cyclic voltammetry of aluminum deposition-stripping measurements. It was found that conductivity increases with molecular weight of polymer in the interval between 2 and 10 kD. This result was interpreted as binding of AlCl3 guanidine to two different sites which have hydroxyl (chain ends) and ether (middle chain) oxygen with relatively higher and lower binding energy respectively. Polymer with longer chain has more low energy binding sites which causes lesser binding and consequently higher conductivity of electrolyte. B3LYP-D3 and DLPNO-CCSD(T) computations support experimental results. DES are discussed in terms of Pearson HSAB principle.
DDC Class
540: Chemistry
620: Engineering
660: Chemistry; Chemical Engineering
Publication version
publishedVersion
Loading...
Name
Properties of AlCl3 guanidine deep eutectic solvent with addition of polyethylene oxide of different molecular weights supported by quantum-chemical.pdf
Size
1.59 MB
Format
Adobe PDF