Mixed Deep Eutectic Solvents and Their Interaction with Nanomaterials
The nanoscopic level properties of a mixed deep eutectic solvent composed by choline chloride as hydrogen bond acceptor and urea plus ethylenglycol plus glycerol as hydrogen bond donor are studied using classical molecular dynamics simulations. The results of the behaviour of mixed deep eutectic on 2D surfaces show strong adsorption when graphene and boron nitride are considered and minor layering for MoS2, but adsorbed layers on these materials are also heterogeneous. Likewise, the behaviour of carbon nanotubes is also analysed, confirmed preferential confinement of one of the considered hydrogen bond donors (ethylene glycol) and nanotube solvation characterized by large adsorption of the considered hydrogen bon acceptor. The reported results show heterogeneities at the nanoscopic level in the mixed deep eutectic induced by the developed preferential hydrogen bonding, which are proposed as a way to control deep eutectic solvents properties through composition.
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