Kinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by UV/H2O2

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: arom...

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Autores principales:	Cristian Ferreiro, Josu Sanz, Natalia Villota, Ana de Luis, José Ignacio Lombraña
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/6bb1542e63914b2c91239d9e3dc8cd2b
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spelling	oai:doaj.org-article:6bb1542e63914b2c91239d9e3dc8cd2b2021-12-02T18:49:36ZKinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by UV/H2O210.1038/s41598-021-95083-72045-2322https://doaj.org/article/6bb1542e63914b2c91239d9e3dc8cd2b2021-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-95083-7https://doaj.org/toc/2045-2322Abstract 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 pH 6.0 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.Cristian FerreiroJosu SanzNatalia VillotaAna de LuisJosé Ignacio LombrañaNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-15 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Cristian Ferreiro Josu Sanz Natalia Villota Ana de Luis José Ignacio Lombraña Kinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by UV/H2O2
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 pH 6.0 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.
format	article
author	Cristian Ferreiro Josu Sanz Natalia Villota Ana de Luis José Ignacio Lombraña
author_facet	Cristian Ferreiro Josu Sanz Natalia Villota Ana de Luis José Ignacio Lombraña
author_sort	Cristian Ferreiro
title	Kinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by UV/H2O2
title_short	Kinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by UV/H2O2
title_full	Kinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by UV/H2O2
title_fullStr	Kinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by UV/H2O2
title_full_unstemmed	Kinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by UV/H2O2
title_sort	kinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by uv/h2o2
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/6bb1542e63914b2c91239d9e3dc8cd2b
work_keys_str_mv	AT cristianferreiro kineticmodellingforconcentrationandtoxicitychangesduringtheoxidationof4chlorophenolbyuvh2o2 AT josusanz kineticmodellingforconcentrationandtoxicitychangesduringtheoxidationof4chlorophenolbyuvh2o2 AT nataliavillota kineticmodellingforconcentrationandtoxicitychangesduringtheoxidationof4chlorophenolbyuvh2o2 AT anadeluis kineticmodellingforconcentrationandtoxicitychangesduringtheoxidationof4chlorophenolbyuvh2o2 AT joseignaciolombrana kineticmodellingforconcentrationandtoxicitychangesduringtheoxidationof4chlorophenolbyuvh2o2
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Kinetic modelling for concentration and toxicity changes during the oxidation of 4-chlorophenol by UV/H2O2

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