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
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/135057
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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 |
url |
http://sedici.unlp.edu.ar/handle/10915/135057 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/issn/1474-905X 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) |
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application/pdf 520-525 |
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Universidad Nacional de La Plata |
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SEDICI (UNLP) - Universidad Nacional de La Plata |
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