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

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 t...

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Autores principales: Spaltro, Agustín, Pila, Matías Nicolás, Simonetti, Sandra Isabel, Alvarez Torrellas, Silvia, García Rodríguez, Juan, Ruiz, Danila Luján, Díaz Compañy, Andrés Carlos Daniel, Juan, Alfredo, Allegretti, Patricia Ercilia
Formato: Articulo Preprint
Lenguaje:Inglés
Publicado: 2018
Materias:
Química
Activated carbon
Adsorption
Computational simulation
Phenoxy acetic herbicides
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/99729
https://ri.conicet.gov.ar/11336/87895
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-99729
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Química
Activated carbon
Adsorption
Computational simulation
Phenoxy acetic herbicides
spellingShingle Química
Activated carbon
Adsorption
Computational simulation
Phenoxy acetic herbicides
Spaltro, Agustín
Pila, Matías Nicolás
Simonetti, Sandra Isabel
Alvarez Torrellas, Silvia
García Rodríguez, Juan
Ruiz, Danila Luján
Díaz Compañy, Andrés Carlos Daniel
Juan, Alfredo
Allegretti, Patricia Ercilia
Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
topic_facet Química
Activated carbon
Adsorption
Computational simulation
Phenoxy acetic herbicides
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.
format Articulo
Preprint
author Spaltro, Agustín
Pila, Matías Nicolás
Simonetti, Sandra Isabel
Alvarez Torrellas, Silvia
García Rodríguez, Juan
Ruiz, Danila Luján
Díaz Compañy, Andrés Carlos Daniel
Juan, Alfredo
Allegretti, Patricia Ercilia
author_facet Spaltro, Agustín
Pila, Matías Nicolás
Simonetti, Sandra Isabel
Alvarez Torrellas, Silvia
García Rodríguez, Juan
Ruiz, Danila Luján
Díaz Compañy, Andrés Carlos Daniel
Juan, Alfredo
Allegretti, Patricia Ercilia
author_sort Spaltro, Agustín
title Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
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
publishDate 2018
url http://sedici.unlp.edu.ar/handle/10915/99729
https://ri.conicet.gov.ar/11336/87895
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