Adsorption of sulfamethoxazole, sulfadiazine and sulfametazine in single and ternary systems on activated carbon. Experimental and DFT computations

Juan Carlos Serna-Carrizales, Virginia H. Collins-Martínez, Elizabeth Flórez, Cesar F.A. Gomez-Duran, Gabriela Palestino, Raúl Ocampo-Pérez

Resultado de la investigación: Contribución a una revistaArtículorevisión exhaustiva

Resumen

In this work the single and ternary removal of sulfonamides (sulfamethoxazole, sulfadiazine and sulfametazine) from water was investigated using granular activated carbon. The single adsorption mechanism was elucidated by obtaining the adsorption isotherms supported by computational calculations. The ternary adsorption was analyzed by using an experimental Box-Behnken type response surface design. The results showed that the total adsorption capacity of activated carbon duplicates in ternary systems compared to single systems. Besides, in both cases the activated carbon showed a greater affinity for removing sulfamethoxazole followed by sulfadiazine and sulfametazine, correspondingly. It was shown that hydrogen bonding interactions presented the highest adsorption energies followed by π-π interactions. From the design of experiments three statistically reliable mathematical models were proposed to estimate the adsorption capacity for each sulfonamide as a function of the solution pH, temperature and initial concentration. Finally, it was shown that sulfonamide ternary adsorption is an endothermic process and that the adsorption rate decreases as a result of partial blockage of the pores due to simultaneous adsorption.

Idioma originalInglés
Número de artículo114740
PublicaciónJournal of Molecular Liquids
DOI
EstadoAceptada/en prensa - 2020

Huella Profundice en los temas de investigación de 'Adsorption of sulfamethoxazole, sulfadiazine and sulfametazine in single and ternary systems on activated carbon. Experimental and DFT computations'. En conjunto forman una huella única.

Citar esto