|Prof. Dhawal Shah (Nazarbayev University, Astana, Kazakhstan)
|Deep Eutetic Solvents: Molecular simulations to understand its formation and applications
|Deep Eutectic Solvents(DES), regarded as a relatively new category of Ionic Liquids(ILs) have been utilized in many diversifying applications that span a wide range of disciplines. DES can be prepared by mixing Lewis or Bronsted acids and bases having a variety of ionic species. In constrast to conventional ILs which form due to electrostatic forces between the ions, the anion of the ionic compound in the DES interact with the hydrogen bond donor or metal halide species forming its structure. Although these fluids have very similar properties to ILs, however, their applications may span areas which are significantly different. In the following talk, I would discuss our results on formation of these DES as analyzed through molecular dynamics simulations. Further, absorption behavior of DES would be explored, particularly in the view of deep desulfurization of oil. An understanding of chemistry of molecular interactions, we hope, can simplify the selection of particular type of DES and the choice of operating conditions to apply.