Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation

Autores
Lovato, Maria Eugenia; Martin, Carlos Alberto; Cassano, Alberto Enrique
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A tentative workable mechanism for dichloroacetic acid decomposition (DCA) in aqueous media employing ozone and UVC radiation has been developed. All experiments were made in a homogeneous medium under assured kinetic control regime. Under no circumstances did a headspace exist in the reactor volume. The starting point of the reaction with UVC radiation was always under the prerequisite of a confirmed state of initial equilibrium conditions for the mixture water-ozone-oxygen at 20 ?C. The explored variables were: (i) DCA initial concentration, (ii) ozone concentration and (iii) fluence rate at the reactor window. The model comprises three parallel reactions: (1) direct photolysis, (2) direct ozonation and (3) ozone + UVC degradation. Complete DCA removal was achieved, and the mass balance, considering DCA disappearance and chloride ion formation, closed within very small error. The combination of ozone and UVC radiation produces a significant amount of hydrogen peroxide as an important reaction by-product. The direct photolysis can be well represented with a six step reaction sequence. The direct ozonation mechanism comprises 22 steps and, with the entire set of kinetic constants completed in this work, it is independent of the reaction pH in the range from 3 to 6.3. Lastly, the associated use of ozone and UVC radiation becomes necessary to consider the existence of radiation absorption by three species, namely DCA, ozone and hydrogen peroxide. The developed system, including the three parallel reactions, led to the proposal of a 37 step reaction mechanism. Finally the reaction kinetics, the mass balances and the radiation field corresponding to this complex system were rigorously modeled and the most significant features of the mathematical representation are briefly described. The simulation results rendered from this model agree very well with the measured experimental data. This outcome will be essential for deriving a complete reactor model that must be appropriate to describe, in the future, the more practical two-phase operating system.
Fil: Lovato, Maria Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química (i); Argentina. Universidad Nacional del Litoral; Argentina
Fil: Martin, Carlos Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química (i); Argentina. Universidad Nacional del Litoral; Argentina
Fil: Cassano, Alberto Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química (i); Argentina. Universidad Nacional del Litoral; Argentina
Materia
Photoreactor
Kinetics
Dichloroacetic
Uv
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:11336/12931
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/12931
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiationLovato, Maria EugeniaMartin, Carlos AlbertoCassano, Alberto EnriquePhotoreactorKineticsDichloroaceticUvhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2A tentative workable mechanism for dichloroacetic acid decomposition (DCA) in aqueous media employing ozone and UVC radiation has been developed. All experiments were made in a homogeneous medium under assured kinetic control regime. Under no circumstances did a headspace exist in the reactor volume. The starting point of the reaction with UVC radiation was always under the prerequisite of a confirmed state of initial equilibrium conditions for the mixture water-ozone-oxygen at 20 ?C. The explored variables were: (i) DCA initial concentration, (ii) ozone concentration and (iii) fluence rate at the reactor window. The model comprises three parallel reactions: (1) direct photolysis, (2) direct ozonation and (3) ozone + UVC degradation. Complete DCA removal was achieved, and the mass balance, considering DCA disappearance and chloride ion formation, closed within very small error. The combination of ozone and UVC radiation produces a significant amount of hydrogen peroxide as an important reaction by-product. The direct photolysis can be well represented with a six step reaction sequence. The direct ozonation mechanism comprises 22 steps and, with the entire set of kinetic constants completed in this work, it is independent of the reaction pH in the range from 3 to 6.3. Lastly, the associated use of ozone and UVC radiation becomes necessary to consider the existence of radiation absorption by three species, namely DCA, ozone and hydrogen peroxide. The developed system, including the three parallel reactions, led to the proposal of a 37 step reaction mechanism. Finally the reaction kinetics, the mass balances and the radiation field corresponding to this complex system were rigorously modeled and the most significant features of the mathematical representation are briefly described. The simulation results rendered from this model agree very well with the measured experimental data. This outcome will be essential for deriving a complete reactor model that must be appropriate to describe, in the future, the more practical two-phase operating system.Fil: Lovato, Maria Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química (i); Argentina. Universidad Nacional del Litoral; ArgentinaFil: Martin, Carlos Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química (i); Argentina. Universidad Nacional del Litoral; ArgentinaFil: Cassano, Alberto Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química (i); Argentina. Universidad Nacional del Litoral; ArgentinaRoyal Society Of Chemistry2011-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/12931Lovato, Maria Eugenia; Martin, Carlos Alberto; Cassano, Alberto Enrique; Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation; Royal Society Of Chemistry; Photochemical And Photobiological Sciences; 10; 3; 4-2011; 367-3801474-905Xenginfo:eu-repo/semantics/altIdentifier/doi/10.1039/c0pp00208ainfo:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleLanding/2011/PP/C0PP00208A#!divAbstractinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:18:51Zoai:ri.conicet.gov.ar:11336/12931instacron: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 10:18:51.506CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation
title Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation
spellingShingle Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation
Lovato, Maria Eugenia
Photoreactor
Kinetics
Dichloroacetic
Uv
title_short Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation
title_full Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation
title_fullStr Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation
title_full_unstemmed Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation
title_sort Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation
dc.creator.none.fl_str_mv Lovato, Maria Eugenia
Martin, Carlos Alberto
Cassano, Alberto Enrique
author Lovato, Maria Eugenia
author_facet Lovato, Maria Eugenia
Martin, Carlos Alberto
Cassano, Alberto Enrique
author_role author
author2 Martin, Carlos Alberto
Cassano, Alberto Enrique
author2_role author
author
dc.subject.none.fl_str_mv Photoreactor
Kinetics
Dichloroacetic
Uv
topic Photoreactor
Kinetics
Dichloroacetic
Uv
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv A tentative workable mechanism for dichloroacetic acid decomposition (DCA) in aqueous media employing ozone and UVC radiation has been developed. All experiments were made in a homogeneous medium under assured kinetic control regime. Under no circumstances did a headspace exist in the reactor volume. The starting point of the reaction with UVC radiation was always under the prerequisite of a confirmed state of initial equilibrium conditions for the mixture water-ozone-oxygen at 20 ?C. The explored variables were: (i) DCA initial concentration, (ii) ozone concentration and (iii) fluence rate at the reactor window. The model comprises three parallel reactions: (1) direct photolysis, (2) direct ozonation and (3) ozone + UVC degradation. Complete DCA removal was achieved, and the mass balance, considering DCA disappearance and chloride ion formation, closed within very small error. The combination of ozone and UVC radiation produces a significant amount of hydrogen peroxide as an important reaction by-product. The direct photolysis can be well represented with a six step reaction sequence. The direct ozonation mechanism comprises 22 steps and, with the entire set of kinetic constants completed in this work, it is independent of the reaction pH in the range from 3 to 6.3. Lastly, the associated use of ozone and UVC radiation becomes necessary to consider the existence of radiation absorption by three species, namely DCA, ozone and hydrogen peroxide. The developed system, including the three parallel reactions, led to the proposal of a 37 step reaction mechanism. Finally the reaction kinetics, the mass balances and the radiation field corresponding to this complex system were rigorously modeled and the most significant features of the mathematical representation are briefly described. The simulation results rendered from this model agree very well with the measured experimental data. This outcome will be essential for deriving a complete reactor model that must be appropriate to describe, in the future, the more practical two-phase operating system.
Fil: Lovato, Maria Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química (i); Argentina. Universidad Nacional del Litoral; Argentina
Fil: Martin, Carlos Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química (i); Argentina. Universidad Nacional del Litoral; Argentina
Fil: Cassano, Alberto Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química (i); Argentina. Universidad Nacional del Litoral; Argentina
description A tentative workable mechanism for dichloroacetic acid decomposition (DCA) in aqueous media employing ozone and UVC radiation has been developed. All experiments were made in a homogeneous medium under assured kinetic control regime. Under no circumstances did a headspace exist in the reactor volume. The starting point of the reaction with UVC radiation was always under the prerequisite of a confirmed state of initial equilibrium conditions for the mixture water-ozone-oxygen at 20 ?C. The explored variables were: (i) DCA initial concentration, (ii) ozone concentration and (iii) fluence rate at the reactor window. The model comprises three parallel reactions: (1) direct photolysis, (2) direct ozonation and (3) ozone + UVC degradation. Complete DCA removal was achieved, and the mass balance, considering DCA disappearance and chloride ion formation, closed within very small error. The combination of ozone and UVC radiation produces a significant amount of hydrogen peroxide as an important reaction by-product. The direct photolysis can be well represented with a six step reaction sequence. The direct ozonation mechanism comprises 22 steps and, with the entire set of kinetic constants completed in this work, it is independent of the reaction pH in the range from 3 to 6.3. Lastly, the associated use of ozone and UVC radiation becomes necessary to consider the existence of radiation absorption by three species, namely DCA, ozone and hydrogen peroxide. The developed system, including the three parallel reactions, led to the proposal of a 37 step reaction mechanism. Finally the reaction kinetics, the mass balances and the radiation field corresponding to this complex system were rigorously modeled and the most significant features of the mathematical representation are briefly described. The simulation results rendered from this model agree very well with the measured experimental data. This outcome will be essential for deriving a complete reactor model that must be appropriate to describe, in the future, the more practical two-phase operating system.
publishDate 2011
dc.date.none.fl_str_mv 2011-04
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/11336/12931
Lovato, Maria Eugenia; Martin, Carlos Alberto; Cassano, Alberto Enrique; Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation; Royal Society Of Chemistry; Photochemical And Photobiological Sciences; 10; 3; 4-2011; 367-380
1474-905X
url http://hdl.handle.net/11336/12931
identifier_str_mv Lovato, Maria Eugenia; Martin, Carlos Alberto; Cassano, Alberto Enrique; Degradation of dichloroacetic acid in homogeneous aqueous media employing ozone and UVC radiation; Royal Society Of Chemistry; Photochemical And Photobiological Sciences; 10; 3; 4-2011; 367-380
1474-905X
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1039/c0pp00208a
info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleLanding/2011/PP/C0PP00208A#!divAbstract
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
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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