Abstract:Reline, a mixture of urea and choline chloride
in 2:1 molar ratio, is one of the most frequently used deep eutectic solvents.
Pure reline and its aqueous solution have large scale industrial use. Owing to
the presence of active hydrogen bond formation sites, urea and choline cation
can disrupt the hydrogen-bonded network in water. However, a quantitative
understanding of the microscopic structural features of water in the presence
of reline is still lacking. We use extensive all-atom molecular dynamics simulat… Show more
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