Theoretical study of ?-hexachlorocyclohexane and ?-hexachlorocyclohexane isomers interaction with surface groups of activated carbon model
Modeling of pesticides/activated carbon (AC) surface groups (SGs) interactions. A modified MMH methodology helps to explain the ACSGs adsorption properties. Charged SGs enhance the adsorption of ?- and ?-hexachlorocyclohexane isomers on AC. Interaction potential energy surface (PES) models improve surface chemistry of AC.
surface groups activated carbon adsorption lindane hexachlorocyclohexane multiple minima hypersurface