MD simulations explain the excess molar enthalpies in pseudo-binary mixtures of a choline chloride-based deep eutectic solvent with water or methanol

MD simulations explain the excess molar enthalpies in pseudo-binary mixtures of a choline chloride-based deep eutectic solvent with water or methanol

The addition of molecular liquid cosolvents to choline chloride (ChCl)-based deep eutectic solvents (DESs) is increasingly investigated for reducing the inherently high bulk viscosities of the latter, which represent a major obstacle for potential industrial applications. The molar enthalpy of mixin...

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Bibliographic Details
Main Authors: Leon de Villiers Engelbrecht, Xiaoyan Ji, Carlo Maria Carbonaro, Aatto Laaksonen, Francesca Mocci
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-11-01
Series:Frontiers in Chemistry
Subjects:
deep eutectic solvent
choline chloride
cosolvents
excess properties
pseudo-binary solvent mixture
MD simulations
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2022.983281/full

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