Insights into Carvone: Fatty Acid Hydrophobic NADES for Alkane Solubilization.

The urge to adopt cleaner technologies drives the search for novel and sustainable materials such as Hydrophobic Natural Deep Eutectic Solvents (HNADESs), a new class of green solvents characterized by their low toxicity, biodegradability, and tunable properties, aiming to be applied in various fields for handling non-polar substances. In this work, the solubilization of hydrocarbons in type V HNADESs (non-ionic organic molecules) formed by mixing carvone, a natural monoterpenoid, with organic acids (hexanoic to decanoic acids) is examined by applying both experimental and theoretical approaches. The synthesis and physicochemical characterization of different HNADESs allowed us to tailor their properties, aiming for optimal interactions with desired hydrocarbons.

Radiological environmental monitoring of groundwater around NPP: A proposal for its assessment.

Whether a nuclear installation has radiological impact and, in that case, its extension, are the questions behind any environmental analysis of the installation along its operational life. This analysis is based on the detailed establishment of the radiological background of the area. Accordingly, the dismantling and decommissioning process (D&D) of a nuclear power plant starts with a radiological monitoring plan, which includes the radiological characterization of the area and of its surroundings.

A density functional theory based tight-binding study on the water effect on nanostructuring of choline chloride + ethylene glycol deep eutectic solvent.

The effect of water on the properties of an archetypical type III deep eutectic solvent [choline chloride : ethyleneglycol (1:2)] is analyzed using ab initio molecular dynamics simulations in the 0 to 60 wt. % water content range. The properties of the mixed fluids are studied considering nanostructuring, intermolecular forces (hydrogen bonding), the energy of interactions, dynamic properties, and domain analysis.

Nanoscopic study on carvone-terpene based natural deep eutectic solvents.

Terpene-based natural deep eutectic solvents (NADES) formed by using carvone as the hydrogen bond acceptor and a series of organic acids including tartaric, succinic, malic, and lactic acids as hydrogen bond donors are studied using a combination of molecular simulation methods. Density functional theory was used to study small molecular clusters and the topological characterization of the intermolecular forces using the atoms-in-a-molecule approach. Close-range interactions between the optimized carvone bases eutectic solvents between carbon dioxide have been studied for potential utilization of these solvents for gas capture purposes.