eprintid: 16543
rev_number: 2
eprint_status: archive
userid: 1
dir: disk0/00/01/65/43
datestamp: 2023-12-19 03:23:03
lastmod: 2023-12-19 03:23:03
status_changed: 2023-12-19 03:06:27
type: article
metadata_visibility: show
creators_name: Mahmad, A.
creators_name: Shima Shaharun, M.
creators_name: Ubaidah Noh, T.
creators_name: Uba Zango, Z.
creators_name: Faisal Taha, M.
title: Experimental and molecular modelling approach for rapid adsorption of Bisphenol A using Zr and Fe based metal�organic frameworks
ispublished: pub
note: cited By 10
abstract: The synthesized highly porous functionalized metal�organic frameworks (MOFs) are the solution for the rapid removal of toxic pollutants from wastewater. Bisphenol A (BPA) which consists of a derivative of phenol was identified as the primary pollutant in environmental waters and requires elimination for a sustainable and greener environment. In this work, we reported highly porous and stable Zr and Fe�based metal�organic frameworks as adsorbents for the removal of BPA in an aqueous solution. In this study, MIL�88(Fe) (MIL stands for Matériaux de l'Institut Lavoisier) and UiO�66(Zr) (UiO stands for University of Oslo) were synthesized by solvothermal techniques and characterized by fourier transformed infrared spectroscopy (FTIR), x�ray diffraction (XRD), energy�dispersive x�ray spectroscopy (EDX), field emission scanning electron microscopy (FESEM), scanning electron microscopy (SEM) and nitrogen adsorption�desorption measurements. MIL�88(Fe) and UiO�66(Zr) had 1242 and 1421 mg2/g surface area, respectively. In the experimental study, the UiO�66(Zr) and MIL�88(Fe) removed 99.25 and 98.36  BPA, respectively. Compared to MIL�88(Fe), UiO�66(Zr) showed faster adsorption of BPA. The process was exothermic and spontaneous. The pseudo�second order model suited the kinetics studies well, while the Langmuir model fit the MIL�88(Fe) and UiO�66(Zr) isotherms. Molecular docking was used to study the surface interactions of MIL�88(Fe) and UiO�66(Zr) with BPA. The process involved van der Waals and hydrogen interactions between BPA with MIL�88(Fe) and UiO�66(Zr) surfaces. Both MOFs proved to have high efficacy and appropriateness for the practical application of BPA adsorption from an aqueous solution. © 2022 Elsevier B.V.
date: 2022
publisher: Elsevier B.V.
official_url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85131948495&doi=10.1016%2fj.inoche.2022.109604&partnerID=40&md5=e24572f2deb70132a38aa4bbe2ab14f7
id_number: 10.1016/j.inoche.2022.109604
full_text_status: none
publication: Inorganic Chemistry Communications
volume: 142
refereed: TRUE
issn: 13877003
citation:   Mahmad, A. and Shima Shaharun, M. and Ubaidah Noh, T. and Uba Zango, Z. and Faisal Taha, M.  (2022) Experimental and molecular modelling approach for rapid adsorption of Bisphenol A using Zr and Fe based metal�organic frameworks.  Inorganic Chemistry Communications, 142.   ISSN 13877003