Structure and dynamics of thymol - fatty acids based deep eutectic solvent investigated by molecular dynamics simulation

The current work focuses on the design of hydrophobic eutectic solvents (HDESs) based on Thymol and fatty acids and the investigation of their dynamical and structural properties. Binary mixtures of Thymol and fatty acids such as Caprylic acid (C8), Decanoic acid (C10), Lauric acid (C12), and Myristic acid (C14) were prepared at different ratios. Molecular dynamics simulations were carried out to evaluate the change in the percentage composition...