Degradation of nitroaromatic compounds by the UV–H₂O₂ process using polychromatic radiation sources

Autores
García Einschlag, Fernando Sebastián; Carlos, Luciano; Capparelli, Alberto Luis; Braun, André M.; Oliveros, Esther
Año de publicación
2002
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The UV–H₂O₂ process, a standard advanced oxidation process (AOP) for water treatment, has been applied to the degradation of a series of nitroaromatic compounds (nitrobenzene, 1-chloro-2,4-dinitrobenzene, 2,4-dinitrophenol, 3-nitrophenol, 4-nitrophenol and 4-chloro-3,5-dinitrobenzoic acid) using polychromatic radiation sources. The optimal concentration of hydrogen peroxide ([H₂O₂]OPT) leading to the fastest degradation rate of a given substrate (S) was determined experimentally and estimated using a simplified kinetic model based on the main reactions involved in the first stages of the oxidation. We have shown that, under conditions of monochromatic irradiation, the ratio ROPT; (=; [H₂O₂]OPT/[S]₀) is given by a simple mathematical expression containing only a few parameters,; whereas, under conditions of polychromatic irradiation, ROPT is expressed by a complex mathematical equation (involving the spectral distribution of the lamp emission and the absorption spectra of H₂O₂ and the substrate). Two numerical analysis procedures are proposed for obtaining the bimolecular rate constants for the reaction of hydroxyl radicals with a substrate (kₛ) from this equation. The rate constants, kₛ, determined for the substrates investigated in this work are in agreement with the expected reactivity trend, taking into account the effects of substituents on the distribution of electron density in the aromatic ring. The methods proposed in this work offer a double advantage: i) a standard AOP may be used to evaluate the rate constants of reaction of substrates with hydroxyl radicals under polychromatic as well as under monochromatic irradiation, ii) optimal amounts; of additive may be obtained using only a few parameters as predictive tools.
Facultad de Ciencias Exactas
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
Materia
Física
Química
nitroaromatic compounds
degradation
polychromatic radiation sources
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/135057

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network_name_str SEDICI (UNLP)
spelling Degradation of nitroaromatic compounds by the UV–H₂O₂ process using polychromatic radiation sourcesGarcía Einschlag, Fernando SebastiánCarlos, LucianoCapparelli, Alberto LuisBraun, André M.Oliveros, EstherFísicaQuímicanitroaromatic compoundsdegradationpolychromatic radiation sourcesThe UV–H₂O₂ process, a standard advanced oxidation process (AOP) for water treatment, has been applied to the degradation of a series of nitroaromatic compounds (nitrobenzene, 1-chloro-2,4-dinitrobenzene, 2,4-dinitrophenol, 3-nitrophenol, 4-nitrophenol and 4-chloro-3,5-dinitrobenzoic acid) using polychromatic radiation sources. The optimal concentration of hydrogen peroxide ([H₂O₂]<sub>OPT</sub>) leading to the fastest degradation rate of a given substrate (S) was determined experimentally and estimated using a simplified kinetic model based on the main reactions involved in the first stages of the oxidation. We have shown that, under conditions of monochromatic irradiation, the ratio R<sub>OPT</sub>; (=; [H₂O₂]<sub>OPT</sub>/[S]₀) is given by a simple mathematical expression containing only a few parameters,; whereas, under conditions of polychromatic irradiation, R<sub>OPT</sub> is expressed by a complex mathematical equation (involving the spectral distribution of the lamp emission and the absorption spectra of H₂O₂ and the substrate). Two numerical analysis procedures are proposed for obtaining the bimolecular rate constants for the reaction of hydroxyl radicals with a substrate (kₛ) from this equation. The rate constants, kₛ, determined for the substrates investigated in this work are in agreement with the expected reactivity trend, taking into account the effects of substituents on the distribution of electron density in the aromatic ring. The methods proposed in this work offer a double advantage: i) a standard AOP may be used to evaluate the rate constants of reaction of substrates with hydroxyl radicals under polychromatic as well as under monochromatic irradiation, ii) optimal amounts; of additive may be obtained using only a few parameters as predictive tools.Facultad de Ciencias ExactasInstituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas2002-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf520-525http://sedici.unlp.edu.ar/handle/10915/135057enginfo:eu-repo/semantics/altIdentifier/issn/1474-905Xinfo:eu-repo/semantics/altIdentifier/issn/1474-9092info:eu-repo/semantics/altIdentifier/doi/10.1039/b203152cinfo:eu-repo/semantics/altIdentifier/pmid/12659164info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:32:22Zoai:sedici.unlp.edu.ar:10915/135057Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:32:23.09SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Degradation of nitroaromatic compounds by the UV–H₂O₂ process using polychromatic radiation sources
title Degradation of nitroaromatic compounds by the UV–H₂O₂ process using polychromatic radiation sources
spellingShingle Degradation of nitroaromatic compounds by the UV–H₂O₂ process using polychromatic radiation sources
García Einschlag, Fernando Sebastián
Física
Química
nitroaromatic compounds
degradation
polychromatic radiation sources
title_short Degradation of nitroaromatic compounds by the UV–H₂O₂ process using polychromatic radiation sources
title_full Degradation of nitroaromatic compounds by the UV–H₂O₂ process using polychromatic radiation sources
title_fullStr Degradation of nitroaromatic compounds by the UV–H₂O₂ process using polychromatic radiation sources
title_full_unstemmed Degradation of nitroaromatic compounds by the UV–H₂O₂ process using polychromatic radiation sources
title_sort Degradation of nitroaromatic compounds by the UV–H₂O₂ process using polychromatic radiation sources
dc.creator.none.fl_str_mv García Einschlag, Fernando Sebastián
Carlos, Luciano
Capparelli, Alberto Luis
Braun, André M.
Oliveros, Esther
author García Einschlag, Fernando Sebastián
author_facet García Einschlag, Fernando Sebastián
Carlos, Luciano
Capparelli, Alberto Luis
Braun, André M.
Oliveros, Esther
author_role author
author2 Carlos, Luciano
Capparelli, Alberto Luis
Braun, André M.
Oliveros, Esther
author2_role author
author
author
author
dc.subject.none.fl_str_mv Física
Química
nitroaromatic compounds
degradation
polychromatic radiation sources
topic Física
Química
nitroaromatic compounds
degradation
polychromatic radiation sources
dc.description.none.fl_txt_mv The UV–H₂O₂ process, a standard advanced oxidation process (AOP) for water treatment, has been applied to the degradation of a series of nitroaromatic compounds (nitrobenzene, 1-chloro-2,4-dinitrobenzene, 2,4-dinitrophenol, 3-nitrophenol, 4-nitrophenol and 4-chloro-3,5-dinitrobenzoic acid) using polychromatic radiation sources. The optimal concentration of hydrogen peroxide ([H₂O₂]<sub>OPT</sub>) leading to the fastest degradation rate of a given substrate (S) was determined experimentally and estimated using a simplified kinetic model based on the main reactions involved in the first stages of the oxidation. We have shown that, under conditions of monochromatic irradiation, the ratio R<sub>OPT</sub>; (=; [H₂O₂]<sub>OPT</sub>/[S]₀) is given by a simple mathematical expression containing only a few parameters,; whereas, under conditions of polychromatic irradiation, R<sub>OPT</sub> is expressed by a complex mathematical equation (involving the spectral distribution of the lamp emission and the absorption spectra of H₂O₂ and the substrate). Two numerical analysis procedures are proposed for obtaining the bimolecular rate constants for the reaction of hydroxyl radicals with a substrate (kₛ) from this equation. The rate constants, kₛ, determined for the substrates investigated in this work are in agreement with the expected reactivity trend, taking into account the effects of substituents on the distribution of electron density in the aromatic ring. The methods proposed in this work offer a double advantage: i) a standard AOP may be used to evaluate the rate constants of reaction of substrates with hydroxyl radicals under polychromatic as well as under monochromatic irradiation, ii) optimal amounts; of additive may be obtained using only a few parameters as predictive tools.
Facultad de Ciencias Exactas
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
description The UV–H₂O₂ process, a standard advanced oxidation process (AOP) for water treatment, has been applied to the degradation of a series of nitroaromatic compounds (nitrobenzene, 1-chloro-2,4-dinitrobenzene, 2,4-dinitrophenol, 3-nitrophenol, 4-nitrophenol and 4-chloro-3,5-dinitrobenzoic acid) using polychromatic radiation sources. The optimal concentration of hydrogen peroxide ([H₂O₂]<sub>OPT</sub>) leading to the fastest degradation rate of a given substrate (S) was determined experimentally and estimated using a simplified kinetic model based on the main reactions involved in the first stages of the oxidation. We have shown that, under conditions of monochromatic irradiation, the ratio R<sub>OPT</sub>; (=; [H₂O₂]<sub>OPT</sub>/[S]₀) is given by a simple mathematical expression containing only a few parameters,; whereas, under conditions of polychromatic irradiation, R<sub>OPT</sub> is expressed by a complex mathematical equation (involving the spectral distribution of the lamp emission and the absorption spectra of H₂O₂ and the substrate). Two numerical analysis procedures are proposed for obtaining the bimolecular rate constants for the reaction of hydroxyl radicals with a substrate (kₛ) from this equation. The rate constants, kₛ, determined for the substrates investigated in this work are in agreement with the expected reactivity trend, taking into account the effects of substituents on the distribution of electron density in the aromatic ring. The methods proposed in this work offer a double advantage: i) a standard AOP may be used to evaluate the rate constants of reaction of substrates with hydroxyl radicals under polychromatic as well as under monochromatic irradiation, ii) optimal amounts; of additive may be obtained using only a few parameters as predictive tools.
publishDate 2002
dc.date.none.fl_str_mv 2002-05
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://sedici.unlp.edu.ar/handle/10915/135057
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dc.language.none.fl_str_mv eng
language eng
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info:eu-repo/semantics/altIdentifier/issn/1474-9092
info:eu-repo/semantics/altIdentifier/doi/10.1039/b203152c
info:eu-repo/semantics/altIdentifier/pmid/12659164
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
520-525
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
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reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
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