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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/87895
Ver los metadatos del registro completo
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oai:ri.conicet.gov.ar:11336/87895 |
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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 Técnicas2025-09-03T09:53:26Zoai: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:34982025-09-03 09:53:26.651CONICET 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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1842269225731751936 |
score |
13.13397 |