RESUMO
The presence of emerging contaminants in wastewater poses a global environmental challenge, requiring the development of innovative materials or methods for their treatment. This study focused on the production of green functionalized carbon nanotubes (CNTs) and using them in the adsorption of the pharmaceuticals Losartan (LOS) and Diclofenac (DIC). The efficiency of the methodology was verified by characterization techniques. Elemental composition analysis indicated a significant increase in the iron content after the green functionalization, proving the effectiveness of the method. Thermogravimetric analysis showed similar thermal degradation profiles for pristine CNTs and functionalized CNTs, indicating better post-functionalization thermal stability. BET analysis revealed mesoporous characteristics of CNTs, with increased surface area and pore volumes after functionalization. X-Ray diffraction confirmed the preservation of the lattice structure of the CNTs post-functionalization and post-adsorption, with changes in peak broadening suggesting surface modifications. LOS and DIC adsorption were evaluated via kinetic studies at four different concentrations (0.1-0.4 mmol/L) that were best represented by the pseudo-second order model, suggesting chemisorption mechanisms, with faster and higher uptakes for DIC (0.084-0.261 mmol/g; teq = 5 min) when compared to LOS (0.058-0.235 mmol/g; teq = 20 min). The curves were also studied via artificial neural networks (ANN) and revealed that the best ANN architecture for representing the experimental data is a network with [3 5 5 2] neurons trained using the Bayesian-Regularization algorithm and the Log-sigmoid (hidden layers) and Linear (output layer) transfer functions. The desorption study showed that CaCl2 had better performance in CNT regeneration, reaching its removal capacity above 50% up to 3 cycles, for both pharmaceuticals. These findings reveal the potential of the developed material as a promising adsorbent for targeted removal of pollutants, contributing to advances in the remediation of emerging contaminants and the application of artificial intelligence in adsorption research.
Assuntos
Diclofenaco , Ferro , Losartan , Nanotubos de Carbono , Poluentes Químicos da Água , Diclofenaco/química , Nanotubos de Carbono/química , Adsorção , Losartan/química , Cinética , Poluentes Químicos da Água/química , Ferro/química , Química Verde/métodos , Redes Neurais de Computação , Café/química , Biomassa , Nanopartículas Metálicas/químicaRESUMO
In this work, lovegrass (Cpa), an abundant grass of the Poaceae family, was employed as feedstock for the production of activated carbon in a conventional furnace using ZnCl2 as a chemical activator. The prepared material (Cpa-AC) was characterized by pH of the point of zero charges (pHpzc), Boehm's titration method, CHN/O elemental analysis, ATR-FTIR, N2 adsorption/desorption curves, and SEM. This carbon material was used for adsorption of acetylsalicylic acid (ASA) and sodium diclofenac (DFC). FTIR analysis identified the presence of O-H, N-H, O-C=O), C-O, and aromatic ring bulk and surface of (Cpa-AC) adsorbent. The quantification of the surface functional groups showed the presence of a large amount of acidic functional groups on the surface of the carbon material. The isotherms of adsorption and desorption of N2 confirm that the Cpa-AC adsorbent is mesopore material with a large surface area of 1040 m2 g-1. SEM results showed that the surface of Cpa-AC is rugous. The kinetic study indicates that the system followed the pseudo-second-order model (pH 4.0). The equilibrium time was achieved at 45 (ASA) and 60 min (DCF). The Liu isotherm model best fitted the experimental data. The maxima sorption capacities (Qmax) for ASA and DFC at 25 °C were 221.7 mg g-1 and 312.4 mg g-1, respectively. The primary mechanism of ASA and DFC adsorption was justified considering electrostatic interactions and π-π interactions between the Cpa-AC and the adsorbate from the solution.