Adsorption characteristics of sulfonamide antibiotic molecules on carbon nanotube and the effects of environment

Abstract

In this paper, the adsorption characteristics of ve sulfonamide antibiotic molecules on carbon nanotubes were investigated using density functional theory (DFT) calculations. The adsorption con gurations of different adsorption sites were optimized, and the most stable adsorption con guration of each sulfonamide molecule was determined by adsorption energy comparison, and the relative adsorption stability of ve sulfonamide molecules on carbon nanotubes was determined by comparing their adsorption energies i.e. sulfamethazine > sulfadiazine > sulfamerazine > sulfamethoxazole > sulfanilamide. The electron densities of the adsorption con gurations were then calculated to con rm that the adsorption of ve sulfonamide drug molecules on carbon nanotubes should be physical adsorption. Moreover, the adsorption energy of ve sulfonamide molecules on carbon nanotubes in the aqueous environment was larger than that in vacuum even though the adsorption process remain to be physical adsorption. The adsorption characteristics of the ve sulfonamide molecules in various acidbase environments were nally investigated. In contrast, the adsorption energies of the ve drug molecules in acid-base environments were signi cantly reduced, indicating that carbon nanotubes may need to have a suitable pH range to achieve the optimal adsorption effect when they are used for the treatment of sulfonamide antibiotics.

An Eco-Friendly Adsorbent Based on Bacterial Cellulose and Vermiculite Composite for Efficient Removal of Methylene Blue and Sulfanilamide

“…Additionally, due to their origin and complex structure, dyes are not easily degraded chemically, biologically or by light. Similarly, sulfanilamide is also poorly biodegradable, leading to persistence in aquatic environments [ 7 , 8 ]. However, most conventional water treatment methods cannot efficiently remove MB or SA from wastewater [ 9 ].…”