ATOMISTIC-SCALE MODELING OF THE INTERACTION OF A BUTANOIC ACID/THYMOL-BASED DEEP EUTECTIC SOLVENT WITH GLYCEROL
The economic feasibility of biodiesel depends on the proper removal of glycerol, a main byproduct that decreases gasoline quality. Current purification processes can be energy-intensive or produce secondary waste, necessitating the creation of new, efficient solvents. This study uses Density Functional Theory (DFT) at...