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The role of urea in formation of the sodium acetate trihydrate (SAT)-urea eutectic liquid: a neutron diffraction and isotopic substitution study.

Emily L ByrneSanskrita MadhukailyaOliver L G AldermanMarijana BlesicJohn D Holbrey
Published in: Physical chemistry chemical physics : PCCP (2024)
Neutron diffraction with isotopic substitution has been used to investigate the structure of the liquid sodium acetate trihydrate-urea eutectic (mole fraction ( χ urea ) of 0.60) at 50 °C. Urea competes with acetate anions and water molecules in the solvation of sodium ions, displacing water and, simultaneously, stabilising the liberated 'excess' water through hydrogen bonding between water and urea molecules in the eutectic liquid. This provides a direct insight into the role of urea as both denaturant and hydrogen-bond network former in generating eutectic liquids.
Keyphrases
  • ionic liquid
  • molecular dynamics
  • molecular dynamics simulations
  • quantum dots