Abstract
Para chloro aniline (PCA) is a common toxic pollutant found in pharmaceutical wastewater. Our study suggests a novel PCA treatment method based on a heterogeneous advanced oxidation process (AOP) that proceeds in an electron exchange matrix (EEM) prepared by the incorporation of redox-active specie in silica matrices using the sol-gel synthesis route. The results, which are supported by DFT calculations, show that the silicon skeleton of the EEM has two important roles, both as a porous matrix that hosts the redox species and as an oxidant species involved in the AOP. The calculations indicate that the formation of a radical on the nitrogen is favored. The suggested mechanism could shed light on the AOP, which proceeds in a heterogenous system, and on its application inside the understudied EEMs that, until now, have been a virtual black box. A better understanding of the mechanism could lead to improved control over the heterogeneous processes that can play a critical role in industries with the need to treat small amounts of toxic compounds at low concentrations, such as in the pharmaceutical industry.
Original language | English |
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Article number | e202300130 |
Journal | ChemPhysChem |
Volume | 24 |
Issue number | 18 |
DOIs | |
State | Published - 15 Sep 2023 |
Externally published | Yes |
Bibliographical note
Publisher Copyright:© 2023 The Authors. ChemPhysChem published by Wiley-VCH GmbH.
Funding
The authors thank Dr. Dani Shahar of BioAnalytics, Ltd, Ms. Elena Doubijansky, Dr. Igor Mokmanov, Dr. Einat Nativ-Roth, and Dr. Nathalia Froumin from the Ilse Katz Institute for Nanoscale Science & Technology for their valuable analytical assistance. We acknowledge the Ariel HPC Center at Ariel University for providing computing resources that have contributed to the research results reported in this paper.
Funders | Funder number |
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Ilse Katz Institute for Nanoscale Science & Technology | |
Ariel University |
Keywords
- DFT calculations
- Electron exchange matrix
- PCA
- Sol-gel matrix
- Waste treatment