Insight into the adsorption of chloramphenicol on a vermiculite surface

• DOI: 10.1016/j.cplett.2018.03.040
• Publication Date: 2018-03-21T07:45:14Z
• Authors: Nguyen Ngoc Tri; A.J.P. Carvalho; A.V. Dordio; Minh Tho Nguyen; Nguyen Tien Trung
• Keywords: Vermiculite; Chemisorption

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/O H⋯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.