Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies

Autores
Spaltro, Agustín; Pila, Matías Nicolás; Simonetti, Sandra Isabel; Alvarez Torrellas, Silvia; García Rodríguez, Juan; Ruiz, Danila Luján; Díaz Compañy, Andres Carlos Daniel; Juan, Alfredo; Allegretti, Patricia Ercilia
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this study, commercial activated carbons (GAB and CBP) were successfully used for the removal of two phenoxy acetic class-herbicides, 4-chloro-2-methyl phenoxy acetic acid and 2.4-dichlorophenoxy acetic acid (MCPA and 2.4-D) from aqueous solution. The adsorbent materials were characterized, and their equilibrium adsorption capacity was evaluated. The results suggest that the microporous properties of GAB activated carbon enhanced the adsorption capacity, in comparison to CBP carbon. Thus, the increasing in the ionic strength favored the adsorption removal of both pesticides, indicating that electrostatic interactions between the pollutant and the adsorbate surface are governing the adsorption mechanism, but increasing pH values decreased adsorption capacity. Experimental data for equilibrium was analyzed by two models: Langmuir and Freundlich. Finally, computational simulation studies were used to explore both the geometry and energy of the pesticides adsorption.
Fil: Spaltro, Agustín. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina
Fil: Pila, Matías Nicolás. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Simonetti, Sandra Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina. Universidad Tecnológica Nacional; Argentina
Fil: Alvarez Torrellas, Silvia. Universidad Complutense de Madrid; España
Fil: García Rodríguez, Juan. Universidad Complutense de Madrid; España
Fil: Ruiz, Danila Luján. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Díaz Compañy, Andres Carlos Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas; Argentina
Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Allegretti, Patricia Ercilia. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina
Materia
ACTIVATED CARBON
ADSORPTION
COMPUTATIONAL SIMULATION
PHENOXY ACETIC HERBICIDES
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:11336/87895
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/87895
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studiesSpaltro, AgustínPila, Matías NicolásSimonetti, Sandra IsabelAlvarez Torrellas, SilviaGarcía Rodríguez, JuanRuiz, Danila LujánDíaz Compañy, Andres Carlos DanielJuan, AlfredoAllegretti, Patricia ErciliaACTIVATED CARBONADSORPTIONCOMPUTATIONAL SIMULATIONPHENOXY ACETIC HERBICIDEShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In this study, commercial activated carbons (GAB and CBP) were successfully used for the removal of two phenoxy acetic class-herbicides, 4-chloro-2-methyl phenoxy acetic acid and 2.4-dichlorophenoxy acetic acid (MCPA and 2.4-D) from aqueous solution. The adsorbent materials were characterized, and their equilibrium adsorption capacity was evaluated. The results suggest that the microporous properties of GAB activated carbon enhanced the adsorption capacity, in comparison to CBP carbon. Thus, the increasing in the ionic strength favored the adsorption removal of both pesticides, indicating that electrostatic interactions between the pollutant and the adsorbate surface are governing the adsorption mechanism, but increasing pH values decreased adsorption capacity. Experimental data for equilibrium was analyzed by two models: Langmuir and Freundlich. Finally, computational simulation studies were used to explore both the geometry and energy of the pesticides adsorption.Fil: Spaltro, Agustín. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; ArgentinaFil: Pila, Matías Nicolás. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Simonetti, Sandra Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina. Universidad Tecnológica Nacional; ArgentinaFil: Alvarez Torrellas, Silvia. Universidad Complutense de Madrid; EspañaFil: García Rodríguez, Juan. Universidad Complutense de Madrid; EspañaFil: Ruiz, Danila Luján. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Díaz Compañy, Andres Carlos Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas; ArgentinaFil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaFil: Allegretti, Patricia Ercilia. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; ArgentinaElsevier Science2018-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/87895Spaltro, Agustín; Pila, Matías Nicolás; Simonetti, Sandra Isabel; Alvarez Torrellas, Silvia; García Rodríguez, Juan; et al.; Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies; Elsevier Science; Journal of Contaminant Hydrology; 218; 11-2018; 84-930169-7722CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0169772218302614info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jconhyd.2018.10.003info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:52:36Zoai:ri.conicet.gov.ar:11336/87895instacron: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 09:52:36.725CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
title Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
spellingShingle Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
Spaltro, Agustín
ACTIVATED CARBON
ADSORPTION
COMPUTATIONAL SIMULATION
PHENOXY ACETIC HERBICIDES
title_short Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
title_full Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
title_fullStr Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
title_full_unstemmed Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
title_sort Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
dc.creator.none.fl_str_mv Spaltro, Agustín
Pila, Matías Nicolás
Simonetti, Sandra Isabel
Alvarez Torrellas, Silvia
García Rodríguez, Juan
Ruiz, Danila Luján
Díaz Compañy, Andres Carlos Daniel
Juan, Alfredo
Allegretti, Patricia Ercilia
author Spaltro, Agustín
author_facet Spaltro, Agustín
Pila, Matías Nicolás
Simonetti, Sandra Isabel
Alvarez Torrellas, Silvia
García Rodríguez, Juan
Ruiz, Danila Luján
Díaz Compañy, Andres Carlos Daniel
Juan, Alfredo
Allegretti, Patricia Ercilia
author_role author
author2 Pila, Matías Nicolás
Simonetti, Sandra Isabel
Alvarez Torrellas, Silvia
García Rodríguez, Juan
Ruiz, Danila Luján
Díaz Compañy, Andres Carlos Daniel
Juan, Alfredo
Allegretti, Patricia Ercilia
author2_role author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv ACTIVATED CARBON
ADSORPTION
COMPUTATIONAL SIMULATION
PHENOXY ACETIC HERBICIDES
topic ACTIVATED CARBON
ADSORPTION
COMPUTATIONAL SIMULATION
PHENOXY ACETIC HERBICIDES
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this study, commercial activated carbons (GAB and CBP) were successfully used for the removal of two phenoxy acetic class-herbicides, 4-chloro-2-methyl phenoxy acetic acid and 2.4-dichlorophenoxy acetic acid (MCPA and 2.4-D) from aqueous solution. The adsorbent materials were characterized, and their equilibrium adsorption capacity was evaluated. The results suggest that the microporous properties of GAB activated carbon enhanced the adsorption capacity, in comparison to CBP carbon. Thus, the increasing in the ionic strength favored the adsorption removal of both pesticides, indicating that electrostatic interactions between the pollutant and the adsorbate surface are governing the adsorption mechanism, but increasing pH values decreased adsorption capacity. Experimental data for equilibrium was analyzed by two models: Langmuir and Freundlich. Finally, computational simulation studies were used to explore both the geometry and energy of the pesticides adsorption.
Fil: Spaltro, Agustín. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina
Fil: Pila, Matías Nicolás. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Simonetti, Sandra Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina. Universidad Tecnológica Nacional; Argentina
Fil: Alvarez Torrellas, Silvia. Universidad Complutense de Madrid; España
Fil: García Rodríguez, Juan. Universidad Complutense de Madrid; España
Fil: Ruiz, Danila Luján. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Díaz Compañy, Andres Carlos Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas; Argentina
Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Allegretti, Patricia Ercilia. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina
description In this study, commercial activated carbons (GAB and CBP) were successfully used for the removal of two phenoxy acetic class-herbicides, 4-chloro-2-methyl phenoxy acetic acid and 2.4-dichlorophenoxy acetic acid (MCPA and 2.4-D) from aqueous solution. The adsorbent materials were characterized, and their equilibrium adsorption capacity was evaluated. The results suggest that the microporous properties of GAB activated carbon enhanced the adsorption capacity, in comparison to CBP carbon. Thus, the increasing in the ionic strength favored the adsorption removal of both pesticides, indicating that electrostatic interactions between the pollutant and the adsorbate surface are governing the adsorption mechanism, but increasing pH values decreased adsorption capacity. Experimental data for equilibrium was analyzed by two models: Langmuir and Freundlich. Finally, computational simulation studies were used to explore both the geometry and energy of the pesticides adsorption.
publishDate 2018
dc.date.none.fl_str_mv 2018-11
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/11336/87895
Spaltro, Agustín; Pila, Matías Nicolás; Simonetti, Sandra Isabel; Alvarez Torrellas, Silvia; García Rodríguez, Juan; et al.; Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies; Elsevier Science; Journal of Contaminant Hydrology; 218; 11-2018; 84-93
0169-7722
CONICET Digital
CONICET
url http://hdl.handle.net/11336/87895
identifier_str_mv Spaltro, Agustín; Pila, Matías Nicolás; Simonetti, Sandra Isabel; Alvarez Torrellas, Silvia; García Rodríguez, Juan; et al.; Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies; Elsevier Science; Journal of Contaminant Hydrology; 218; 11-2018; 84-93
0169-7722
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0169772218302614
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jconhyd.2018.10.003
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
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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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score 13.070432

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