An advanced combination of density functional theory simulations and statistical physics modeling in the unveiling and prediction of adsorption mechanisms of 2,4-D pesticide to activated carbon

Vieira, Yasmin ; Schnorr, Carlos ; Piazzi, Ana C. ; Netto, Matias S. ; Piccini, William M. ; Franco, Dison S.P. ; Mallmann, Evandro S. ; Georgin, Jordana ; Silva, Luis F.O. ; Dotto, Guilherme L.

Journal of molecular liquids, 2022-09, Vol.361, p.119639, Article 119639 [Periódico revisado por pares]

Elsevier B.V

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