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Cited by 306

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Formation of type III Deep Eutectic Solvents and effect of water on their intermolecular interactions

Open access
Zhekenov, Temirlan, Toksanbayev, Nursultan, Kazakbayeva, Zhanna, Shah, Dhawal, Mjalli, Farouq S.·2017·Fluid Phase Equilibria

Abstract

Abstract Several novel applications of Deep Eutectic Solvents (DESs) have emerged recently. With a growing interest in the field, there is an urge to understand formation and functioning of these solvents at molecular level, which in turn would assist in further designing of DESs. We herein performed molecular dynamics simulations on three of the commonly used type III DES, viz, reline, ethaline, and glyceline, which are mixtures of urea, ethylene glycol, and glycerol with choline chloride at eutectic composition. Our results explain the role of inter-molecular and intra-molecular hydrogen bonding and energies on formation of these DESs. Furthermore, the ability of these DESs to be altered in a desired way through a simple addition of water makes it versatile solution for several other applications. Hence, simulations are also performed on the aqueous DES solutions, which reveal the effect of water on intermolecular network of interaction existing within these DESs.

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Metadata

Authors
Zhekenov, T., Toksanbayev, N., Kazakbayeva, Z., Shah, D., & Mjalli, F. S.
Venue
Fluid Phase Equilibria
Publisher
Elsevier BV
Published
2017-06
Volume
441
Pages
43-48
ISSN
0378-3812 (ISSN-L)
OpenAlex
W2582769852
Cited by
306
References
8
FWCI
7.52
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: Formation of type III Deep Eutectic Solvents and effect of water on their intermolecular interactions. https://app.cochat.ai/papers/10.1016/j.fluid.2017.01.022
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Zhekenov, T., Toksanbayev, N., Kazakbayeva, Z., Shah, D., & Mjalli, F. S. (2017). Formation of type III Deep Eutectic Solvents and effect of water on their intermolecular interactions. Fluid Phase Equilibria. https://doi.org/10.1016/j.fluid.2017.01.022

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

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