Nanostructuring and macroscopic behavior of type V deep eutectic solvents based on monoterpenoids
文献情報
Lorena Zamora, Cristina Benito, Alberto Gutiérrez, Rafael Alcalde, Noor Alomari, Ahmad Al Bodour, Mert Atilhan, Santiago Aparicio
Type V natural deep eutectic solvents based on monoterpenoids (cineole, carvone, menthol, and thymol) are studied using a combined experimental and molecular modeling approach. The reported physicochemical properties showed low viscous fluids whose properties were characterized as a function of temperature. The theoretical study combining quantum chemistry and classical molecular dynamics simulations provided a nanoscopic characterization of the fluids, particularly for the hydrogen bonding network and its relationship with the macroscopic properties. The considered fluids constitute a suitable type of solvents considering their properties, cost, origin, and sustainability in different technological applications and sow the possibility of developing type V NADES from different types of molecules, especially in the terpenoid family of compounds.
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