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The Role of Water in the Adsorption of Nitro-Organic Pollutants on Activated Carbon

[Image: see text] The density functional theory (DFT) is applied to theoretically study the capture and storage of three different nitro polycyclic aromatic hydrocarbons, 4-nitrophenol, 2-nitrophenol, and 9-nitroanthracene by activated carbon, with and without the presence of water. These species ar...

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Detalles Bibliográficos
Autores principales:	Adjal, Celia, Timón, Vicente, Guechtouli, Nabila, Boussassi, Rahma, Hammoutène, Dalila, Senent, María Luisa
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561263/ https://www.ncbi.nlm.nih.gov/pubmed/37748125 http://dx.doi.org/10.1021/acs.jpca.3c03877

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