Kinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by UV/H2O2
dc.contributor.author | Ferreiro Santiso, Cristian | |
dc.contributor.author | Sanz Alonso, Josu | |
dc.contributor.author | Villota Salazar, Natalia | |
dc.contributor.author | De Luis Álvarez, Ana María | |
dc.contributor.author | Lombraña Alonso, José Ignacio | |
dc.date.accessioned | 2021-10-04T11:32:58Z | |
dc.date.available | 2021-10-04T11:32:58Z | |
dc.date.issued | 2021-08-03 | |
dc.identifier.citation | Scientific Reports 11 : (2021) // Article ID 15726 | es_ES |
dc.identifier.issn | 2045-2322 | |
dc.identifier.uri | http://hdl.handle.net/10810/53219 | |
dc.description.abstract | This work develops a kinetic model that allow to predict the water toxicity and the main degradation products concentration of aqueous solutions containing 4-chlorophenol oxidised by UV/H2O2. The kinetic model was developed grouping degradation products of similar toxicological nature: aromatics (hydroquinone, benzoquinone, 4-chlorocatechol and catechol), aliphatics (succinic, fumaric, maleic and malonic acids) and mineralised compounds (oxalic, acetic and formic acids). The degradation of each group versus time was described as a mathematical function of the rate constant of a second-order reaction involving the hydroxyl radical, the quantum yield of lump, the concentration of the hydroxyl radicals and the intensity of the emitted UV radiation. The photolytic and kinetic parameters characterising each lump were adjusted by experimental assays. The kinetic, mass balance and toxicity equations were solved using the Berkeley Madonna numerical calculation tool. Results showed that 4-chlorophenol would be completely removed during the first hour of the reaction, operating with oxidant molar ratios higher than R=200 at pH6.0 and UV=24 W. Under these conditions, a decrease in the rate of total organic carbon (TOC) removal close to 50% from the initial value was observed. The solution colour, attributed to the presence of oxidation products as p-benzoquinone and hydroquinone, were oxidised to colourless species, that resulted in a decrease in the toxicity of the solutions (9.95 TU) and the aromaticity lost. | es_ES |
dc.description.sponsorship | The authors are grateful to the University of the Basque Country (UPV/EHU) for their financial support of this study through the PPGA20/33 project, and C. Ferreiro's predoctoral PIF grant (PIF16/367). Document | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Nature | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es/ | * |
dc.subject | photocatalytic degradation | es_ES |
dc.subject | by-products | es_ES |
dc.subject | chlorophenols | es_ES |
dc.subject | water | es_ES |
dc.subject | ozonation | es_ES |
dc.subject | removal | es_ES |
dc.subject | phenol | es_ES |
dc.subject | system | es_ES |
dc.subject | fenton | es_ES |
dc.subject | photodegradation | es_ES |
dc.title | Kinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by UV/H2O2 | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/. | es_ES |
dc.rights.holder | Atribución 3.0 España | * |
dc.relation.publisherversion | https://www.nature.com/articles/s41598-021-95083-7 | es_ES |
dc.identifier.doi | 10.1038/s41598-021-95083-7 | |
dc.departamentoes | Didáctica de la Matemática y de las Ciencias Experimentales | es_ES |
dc.departamentoes | Ingeniería química | es_ES |
dc.departamentoes | Ingeniería química y del medio ambiente | es_ES |
dc.departamentoeu | Ingeniaritza kimikoa | es_ES |
dc.departamentoeu | Ingeniaritza kimikoa eta ingurumenaren ingeniaritza | es_ES |
dc.departamentoeu | Matematikaren eta zientzia esperimentalen didaktika | es_ES |
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