Insight into the adsorption of chloramphenicol on a vermiculite surface

Abstract

Four stable configurations were found upon adsorption of the chloramphenicol on a period slab model of the vermiculite surface, using the PBE and C09-vdW functionals in a projector-augmented wave (PAW) method approach. The adsorption is a strong chemisorption process, characterized by an adsorption energy of 106.5 kcal mol 1 at the most stable configuration. Stability of configurations contributed mainly by Mg O/Cl attractive electrostatic interactions and C/OAH O hydrogen bonds. It is remarkable that the vermiculite is found to be a solid material with good potential to be used for adsorption and consequent removal of this type of antibiotic drugs