Comparative effect of mesoporous carbon doping on the adsorption of pharmaceutical drugs in water: Theoretical calculations and mechanism study

Author(s)

Camparotto, Natalia Gabriele ; Paixa, Gustavo Rocha ; Briao, Giani de Vargas ; Oliveira, Rafael L. ; Prediger, Patricia ; Vieira, Melissa Gurgel Adeodato

• Document type: Journal article
• Source: ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY; v. 99, p. 14-pg., 2023-03-10.

Abstract

In this study, mesoporous doped-carbons were synthesized from sucrose, a natural source, boric acid and cyanamide as precursors, generating B- or N-doped carbon. These materials were characterized by FTIR, XRD, TGA, Raman, SEM, TEM, BET, and XPS, confirming the preparation of a tridimensional doped porous structure. B-MPC and N-MPC showed a high surface specific area above 1000 m(2)/g. The effect of B and N doping on mesoporous carbon was evaluated on the adsorption of emerging pollutants from water. Diclofenac sodium and paracetamol were used in adsorption assays, reaching removal capacities of 78 and 101 mg.g(-1), respectively. Kinetic and isothermal studies indicate the chemical nature of adsorption controlled by external and intraparticle diffusion and multilayer formation due to strong adsorbent/adsorbate interactions. DFT-based calculations and adsorption assays infer that the main attractive forces are hydrogen bonds and Lewis acid-base interactions. (AU)

• FAPESP's process: 19/07822-2 - Synthesis of new nanoadsorbents, their characterizations and applications in pollutant adsorption in water
• Grantee: Patricia Prediger
• Support Opportunities: Regular Research Grants
• FAPESP's process: 19/11353-8 - Brazilian Water Research Center (BWRC)
• Grantee: Lauro Tatsuo Kubota
• Support Opportunities: Research Grants - Research Centers in Engineering Program