Water-mediated weakening of inter-ionic interactions in aqueous mixtures of ionic liquid: An investigation combining quantum chemical calculations and molecular dynamics simulations
“…Water-ionic liquid interactions have been comprehensively studied for nonmesogenic ILs. 32,[38][39][40][41][42][43][44][45][46][47] Mixing with water dramatically changes properties of ILs in a variety of applications. Water not only forms H-bonds with the anion and cation but also alters the cation-anion interactions.…”
Section: Introductionmentioning
confidence: 99%
“…Water not only forms H-bonds with the anion and cation but also alters the cation-anion interactions. 32,44,45 MD simulations have indicated that cation-anion coordination decreases in the presence of water compared to that in the neat ILs. 46 At high water content hydrogen-bonding network can be disrupted.…”
Water-enhanced hydrogen-bonding network in ionic sublayer supports the formation of a thermodynamically stable smectic phase of less-ordered molecules.
“…Water-ionic liquid interactions have been comprehensively studied for nonmesogenic ILs. 32,[38][39][40][41][42][43][44][45][46][47] Mixing with water dramatically changes properties of ILs in a variety of applications. Water not only forms H-bonds with the anion and cation but also alters the cation-anion interactions.…”
Section: Introductionmentioning
confidence: 99%
“…Water not only forms H-bonds with the anion and cation but also alters the cation-anion interactions. 32,44,45 MD simulations have indicated that cation-anion coordination decreases in the presence of water compared to that in the neat ILs. 46 At high water content hydrogen-bonding network can be disrupted.…”
Water-enhanced hydrogen-bonding network in ionic sublayer supports the formation of a thermodynamically stable smectic phase of less-ordered molecules.
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