27
Studied system(s)
Water content
Technique(s)
Comments
References
ChCl:G 1:2
0–73.6 wt%
MD simulations
Water played both destructuring and
structuring roles in ChCl:G DES. The
water decreases the major type of
interactions in the DES network which is
the ChCl:G complex, with chloride
anion serving as a bridge between the
cation and the HBD. This effect was
observed owing to the tendency of water
to solvate chloride anions. On the other
hand, the direct choline-glycerol
hydrogen bonds were enhanced at low
water content (10.1 wt%) compared to
the anhydrous DES. Water molecules
were also able to replace Cl
−
by linking
choline and glycerol. These types of
interactions (choline-water-glycerol)
reached a maximum at 35.8 wt% water.
Overall, the chloride-bridge interactions
between choline and glycerol were
predominant below 21.8 wt% water.
Weng and
Toner (2018)
ChCl:U 1:2
3.4–58.1 wt%
MD simulations
The DES structure is qualitatively
preserved below 41 wt% of water. Above
this water content, water tends to solvate
chloride anions as well as choline
cations, thus leading to a transition from
DES to an aqueous solution of ChCl and
urea.
Kumari et al.
(2018)
(continued)
1 Understanding the Basics and Properties of Deep Eutectic Solvents