Comparative adsorption of diclofenac sodium and losartan potassium in organophilic clay-packed fixed-bed : X-ray photoelectron spectroscopy characterization, experimental tests and theoretical study on DFT-based chemical descriptors
Júlia Resende de Andrade, Maria Fernanda Oliveira, Rafael Luan Sehn Canevesi, Richard Landers, Meuris Gurgel Carlos da Silva, Melissa Gurgel Adeodato Vieira
ARTIGO
Inglês
Agradecimentos: This research was developed with the support of CENAPAD SP and was financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - Brasil (CAPES) - Finance Code 001 [Proc. 88882.329686/2018-01], Conselho Nacional de Desenvolvimento Científico e Tecnológico -...
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Agradecimentos: This research was developed with the support of CENAPAD SP and was financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - Brasil (CAPES) - Finance Code 001 [Proc. 88882.329686/2018-01], Conselho Nacional de Desenvolvimento Científico e Tecnológico - Brasil (CNPq) [Proc. 406193/2018-5], and Fundação de Amparo à Pesquisa do Estado de São Paulo - Brasil (FAPESP) [Proc. 2016/05007-1]
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Abstract: Diclofenac sodium (DS) and losartan potassium (LP) are pharmaceuticals extensively used worldwide and contaminants of emerging concern. This work aims to examine the monocomponent continuous adsorption of DS and LP in fixed-beds packed with the organophilic clay, Spectrogel.The external...
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Abstract: Diclofenac sodium (DS) and losartan potassium (LP) are pharmaceuticals extensively used worldwide and contaminants of emerging concern. This work aims to examine the monocomponent continuous adsorption of DS and LP in fixed-beds packed with the organophilic clay, Spectrogel.The external surface of Spectrogel was studied by X-ray photoelectron spectroscopy (XPS) prior and post application as adsorbent. Continuous tests were conducted for the effects of flow rate (0.4-1.0 mL/min) and inlet concentration (0.05-0.15 mmol/L). Both DS- and LP-systems best operated at 0.4 mL/min and 0.15 mmol/L condition, which provided the highest breakthrough adsorption capacities (0.0047 mmol/g for DS and 0.0013 mmol/g for LP) and the lowest mass transfer zones (4.3 cm for DS and 4.4 cm for LP). Five different models were applied to describe the breakthrough curves and Dual site diffusion approach showed high suitability (R-2 > 0.97). The DS adsorption performance by Spectrogel was contrasted with other materials. Density functional theory (DFT) computations were combined with experimental findings to clarify the particularities of DS and LP adsorption. Greater hydrophobicity, lower water solubility, reduced steric hindrance effects and greater chemical molecular reactivity were some of the factors attributed to the enhanced DS adsorption onto Spectrogel compared to LP
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COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIOR - CAPES
001; 88882.329686/2018-01
CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQ
406193/2018-5
FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESP
2016/05007-1
Fechado
Comparative adsorption of diclofenac sodium and losartan potassium in organophilic clay-packed fixed-bed : X-ray photoelectron spectroscopy characterization, experimental tests and theoretical study on DFT-based chemical descriptors
Júlia Resende de Andrade, Maria Fernanda Oliveira, Rafael Luan Sehn Canevesi, Richard Landers, Meuris Gurgel Carlos da Silva, Melissa Gurgel Adeodato Vieira
Comparative adsorption of diclofenac sodium and losartan potassium in organophilic clay-packed fixed-bed : X-ray photoelectron spectroscopy characterization, experimental tests and theoretical study on DFT-based chemical descriptors
Júlia Resende de Andrade, Maria Fernanda Oliveira, Rafael Luan Sehn Canevesi, Richard Landers, Meuris Gurgel Carlos da Silva, Melissa Gurgel Adeodato Vieira
Fontes
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Journal of molecular liquids Vol. 312 (Aug., 2020), n. art. 113427, p. 1-13 |