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

Autores
Pila, Matías; Simonetti, Sandra; Álvarez-Torrellas, Silvia; García Rodríguez, Juan; Ruiz, Danila; Díaz Compañy, Andrés Carlos Daniel; Juan, Alfredo; Allegretti, Patricia E.
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión aceptada
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.
Materia
Físico-Química, Ciencia de los Polímeros, Electroquímica
Activated carbon
Adsorption
Computational simulation
Phenoxy acetic herbicides
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/4.0/
Repositorio
CIC Digital (CICBA)
Institución
Comisión de Investigaciones Científicas de la Provincia de Buenos Aires
OAI Identificador
oai:digital.cic.gba.gob.ar:11746/10664
Acceder
id CICBA_0b4088e8960289fa14696c33859eacc1
oai_identifier_str oai:digital.cic.gba.gob.ar:11746/10664
network_acronym_str CICBA
repository_id_str 9441
network_name_str CIC Digital (CICBA)
spelling Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studiesPila, MatíasSimonetti, SandraÁlvarez-Torrellas, SilviaGarcía Rodríguez, JuanRuiz, DanilaDíaz Compañy, Andrés Carlos DanielJuan, AlfredoAllegretti, Patricia E.Físico-Química, Ciencia de los Polímeros, ElectroquímicaActivated carbonAdsorptionComputational simulationPhenoxy acetic herbicidesIn 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.2018-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttps://digital.cic.gba.gob.ar/handle/11746/10664enginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.jconhyd.2018.10.003info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/reponame:CIC Digital (CICBA)instname:Comisión de Investigaciones Científicas de la Provincia de Buenos Airesinstacron:CICBA2025-09-18T10:04:41Zoai:digital.cic.gba.gob.ar:11746/10664Institucionalhttp://digital.cic.gba.gob.arOrganismo científico-tecnológicoNo correspondehttp://digital.cic.gba.gob.ar/oai/snrdmarisa.degiusti@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:94412025-09-18 10:04:42.109CIC Digital (CICBA) - Comisión de Investigaciones Científicas de la Provincia de Buenos Airesfalse
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
Pila, Matías
Físico-Química, Ciencia de los Polímeros, Electroquímica
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 Pila, Matías
Simonetti, Sandra
Álvarez-Torrellas, Silvia
García Rodríguez, Juan
Ruiz, Danila
Díaz Compañy, Andrés Carlos Daniel
Juan, Alfredo
Allegretti, Patricia E.
author Pila, Matías
author_facet Pila, Matías
Simonetti, Sandra
Álvarez-Torrellas, Silvia
García Rodríguez, Juan
Ruiz, Danila
Díaz Compañy, Andrés Carlos Daniel
Juan, Alfredo
Allegretti, Patricia E.
author_role author
author2 Simonetti, Sandra
Álvarez-Torrellas, Silvia
García Rodríguez, Juan
Ruiz, Danila
Díaz Compañy, Andrés Carlos Daniel
Juan, Alfredo
Allegretti, Patricia E.
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Físico-Química, Ciencia de los Polímeros, Electroquímica
Activated carbon
Adsorption
Computational simulation
Phenoxy acetic herbicides
topic Físico-Química, Ciencia de los Polímeros, Electroquímica
Activated carbon
Adsorption
Computational simulation
Phenoxy acetic herbicides
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.
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/acceptedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://digital.cic.gba.gob.ar/handle/11746/10664
url https://digital.cic.gba.gob.ar/handle/11746/10664
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jconhyd.2018.10.003
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-sa/4.0/
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:CIC Digital (CICBA)
instname:Comisión de Investigaciones Científicas de la Provincia de Buenos Aires
instacron:CICBA
reponame_str CIC Digital (CICBA)
collection CIC Digital (CICBA)
instname_str Comisión de Investigaciones Científicas de la Provincia de Buenos Aires
instacron_str CICBA
institution CICBA
repository.name.fl_str_mv CIC Digital (CICBA) - Comisión de Investigaciones Científicas de la Provincia de Buenos Aires
repository.mail.fl_str_mv marisa.degiusti@sedici.unlp.edu.ar
_version_ 1843608568641617920
score 13.001348

Publicaciones similares