Natural Hydrophobic Deep Eutectic Solvents for hydrocarbons solubilization

Abstract

The urge to adopt cleaner technologies drives the search for novel and sustainable materials with tailored properties. Natural Hydrophobic Deep Eutectic Solvents (HNADESs) emerge as promising candidates as green solvents. HNADESs are liquids at standard T and P as a result of the hydrogen bond network developedafter the mixture of two natural compounds: a Hydrogen Bond Acceptor (HBA) and a Hydrogen Bond Donor (HBD). The solubilization of hydrocarbons (C6, C10 andC14) in HNADESs formed by mixing carvone (CAR), a natural monoterpenoid, as HBA with organic acids (C6AC to C10AC) as HBDs is examined by applying both experimental and theoretical approaches. A comprehensive multiscale computational study was carried out to predict the interactions between CAR (1:1) C10AC and C10,providing invaluable knowledge for future optimization and design of green solvents