Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources

Autores
Garcia Einschlag, Fernando Sebastian; Carlos, Luciano; Capparelli, Alberto Luis; Oliveros, Esther; Braun, André
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.
Fil: Garcia Einschlag, Fernando Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Carlos, Luciano. Universidad Nacional de La Plata; Argentina
Fil: Capparelli, Alberto Luis. Universidad Nacional de La Plata; Argentina
Fil: Oliveros, Esther. Universidad Nacional de La Plata; Argentina
Fil: Braun, André. Universitat Karlsruhe; Alemania
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/30062

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spelling Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sourcesGarcia Einschlag, Fernando SebastianCarlos, LucianoCapparelli, Alberto LuisOliveros, EstherBraun, Andréhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The 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.Fil: Garcia Einschlag, Fernando Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Carlos, Luciano. Universidad Nacional de La Plata; ArgentinaFil: Capparelli, Alberto Luis. Universidad Nacional de La Plata; ArgentinaFil: Oliveros, Esther. Universidad Nacional de La Plata; ArgentinaFil: Braun, André. Universitat Karlsruhe; AlemaniaRoyal Society of Chemistry2002-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/30062Garcia Einschlag, Fernando Sebastian; Carlos, Luciano; Capparelli, Alberto Luis; Oliveros, Esther; Braun, André; Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources; Royal Society of Chemistry; Photochemical and Photobiological Sciences; 1; 12-2002; 520-5251474-905XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1039/b203152cinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:36:02Zoai:ri.conicet.gov.ar:11336/30062instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:36:03.179CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources
title Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources
spellingShingle Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources
Garcia Einschlag, Fernando Sebastian
title_short Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources
title_full Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources
title_fullStr Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources
title_full_unstemmed Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources
title_sort Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources
dc.creator.none.fl_str_mv Garcia Einschlag, Fernando Sebastian
Carlos, Luciano
Capparelli, Alberto Luis
Oliveros, Esther
Braun, André
author Garcia Einschlag, Fernando Sebastian
author_facet Garcia Einschlag, Fernando Sebastian
Carlos, Luciano
Capparelli, Alberto Luis
Oliveros, Esther
Braun, André
author_role author
author2 Carlos, Luciano
Capparelli, Alberto Luis
Oliveros, Esther
Braun, André
author2_role author
author
author
author
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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]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.
Fil: Garcia Einschlag, Fernando Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Carlos, Luciano. Universidad Nacional de La Plata; Argentina
Fil: Capparelli, Alberto Luis. Universidad Nacional de La Plata; Argentina
Fil: Oliveros, Esther. Universidad Nacional de La Plata; Argentina
Fil: Braun, André. Universitat Karlsruhe; Alemania
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]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.
publishDate 2002
dc.date.none.fl_str_mv 2002-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
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://hdl.handle.net/11336/30062
Garcia Einschlag, Fernando Sebastian; Carlos, Luciano; Capparelli, Alberto Luis; Oliveros, Esther; Braun, André; Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources; Royal Society of Chemistry; Photochemical and Photobiological Sciences; 1; 12-2002; 520-525
1474-905X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/30062
identifier_str_mv Garcia Einschlag, Fernando Sebastian; Carlos, Luciano; Capparelli, Alberto Luis; Oliveros, Esther; Braun, André; Photodegradation of nitroaromatic compounds by the UV/H2O2 process using polychromatic radiation sources; Royal Society of Chemistry; Photochemical and Photobiological Sciences; 1; 12-2002; 520-525
1474-905X
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1039/b203152c
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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