Mechanistic insights and steric interpretations through statistical physics modelling and density functional theory calculations for the adsorption of the pesticides atrazine and diuron by Hovenia dulcis biochar

Atrazine and diuron are two pesticide compounds with very low surface interaction capacity, whose adsorption efficiency remains a challenge in environmental remediation applications. In this work, statistical physics (sta-phy) modelling and density functional theory (DFT) calculations have explored...

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Autores:

Vieira, Yasmin
Pereira Silveira, Juliano
Dotto, Guilherme Luiz
Knani, Salah
Vieillard, Julien.
georgin, jordana
Dison S.P., Franco
Lima, Eder C.

Tipo de recurso:

Article of investigation

Fecha de publicación:

2022

Institución:

Corporación Universidad de la Costa

Repositorio:

REDICUC - Repositorio CUC

Idioma:

eng

OAI Identifier:

oai:repositorio.cuc.edu.co:11323/10782

Acceso en línea:

https://hdl.handle.net/11323/10782
https://repositorio.cuc.edu.co/

Palabra clave:

Pesticides
DFT calculations
Atrazine and diuron
Adsorption mechanism

Rights

embargoedAccess

License

Atribución-NoComercial-SinDerivadas 4.0 Internacional (CC BY-NC-ND 4.0)