Fixed-bed adsorption of bisphenol A onto organoclay: Characterisation, mathematical modelling and theoretical calculation of DFT-based chemical descriptors

Autor(es)

de Farias, M. B. ^[1] ; Spaolonzi, M. P. ^[1] ; Silva, M. G. C. ^[1] ; Vieira, M. G. A. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Campinas UNICAMP, Sch Chem Engn, Dept Proc & Prod Design, Albert Einstein Ave 500, BR-13083852 Campinas, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING; v. 9, n. 5 OCT 2021.
• Citações Web of Science: 1

Resumo

Bisphenol A (BPA) is a noteworthy and ubiquitous chemical of concern. Up to this day, several methods of water remediation have already been tested, however, few studies have addressed the fixed-bed adsorption of this contaminant. In this regard, this work aimed to evaluate the continuous adsorption of BPA using an organoclay (Spectrogel (R) type-C) as an adsorbent. The material passed through a series of characterisation techniques to elucidate the impact of the contaminant uptake onto the organoclay. The effect of the operation conditions on the adsorption behaviour was evaluated through breakthrough curves and the calculation of mass transfer and efficiency parameters The system conducted at 0.6 mL min(-1) and 0.2 mmol L-1 obtained the highest removal (95%) until breakthrough point (19.29 h), as well as greater breakthrough and exhaustion adsorption capacities (0.0424 and 0.2151 mmol g(-1), respectively). The breakthrough curves were correlated by five distinctive models and the modified dose response model showed the finest fitting to the data (R-2 > 0.97). Furthermore, the regeneration potential of the spent adsorbent was investigated. It was observed that NaOH solution was a satisfactory eluent. Moreover, density functional theory (DFT) calculations were studied to give further insights regarding BPA adsorption. (AU)

• Processo FAPESP: 20/16004-9 - Desenvolvimento de bioadsorventes avançados e modelos baseados em inteligência artificial para aplicação na remoção e monitoramento de poluentes emergentes em meios aquosos
• Beneficiário: Meuris Gurgel Carlos da Silva
• Modalidade de apoio: Auxílio à Pesquisa - Regular
• Processo FAPESP: 19/11353-8 - Centro Brasileiro de Pesquisa em Água (BWRC)
• Beneficiário: Lauro Tatsuo Kubota
• Modalidade de apoio: Auxílio à Pesquisa - Programa Centros de Pesquisa em Engenharia