Methylphenidate adsorption onto graphene derivatives: theory and experiment

Bruckmann, Franciele da Silva; Zuchetto, Taís; Ledur, Cristian Mafra; Santos, Cláudia Lange dos; Silva, William Leonardo da; Fagan, Solange Binotto; Zanella, Ivana; Rhoden, Cristiano Rodrigo Bohn

doi:10.1039/d1nj03916d

Cited by 27 publications

(19 citation statements)

References 54 publications

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“…The computational method and simulation parameters were similar to those used in our previous work. 36–38 These structures can describe qualitatively the results combining simulations and experimental data for molecule adsorption.…”

Section: Methodsmentioning

confidence: 84%

“…This result confirms that this system keeps up in a physisorption interaction, as observed in previous work with graphene nanomaterials and different molecules. 34–36…”

Section: Resultsmentioning

confidence: 99%

“…This result confirms that this system keeps up in a physisorption interaction, as observed in previous work with graphene nanomaterials and different molecules. [34][35][36] C Gr In Fig. 11(a) it is made clear that the Cl atom does not share electrons with anyone close to it, and in Fig.…”

Section: Ab Initio Simulations a Gr[o]/gr[2o] Interacting With Mbmentioning

confidence: 98%

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Combining multi-scale simulations and experiments to unveil the adsorption of methylene blue in graphene tridimensional-based materials

Leão

Vendrame

Jauris

et al. 2023

Mol. Syst. Des. Eng.

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Section: Methodsmentioning

confidence: 84%

“…This result confirms that this system keeps up in a physisorption interaction, as observed in previous work with graphene nanomaterials and different molecules. 34–36…”

Section: Resultsmentioning

confidence: 99%

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Combining multi-scale simulations and experiments to unveil the adsorption of methylene blue in graphene tridimensional-based materials

Leão

Vendrame

Jauris

et al. 2023

Mol. Syst. Des. Eng.

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“…Adsorption is a surface phenomenon and physicochemical process in which a liquid (gas or liquid) reacts with a solid surface (adsorbent), causing a solute mass transfer from the liquid phase to a solid surface [ 155 ]. Within this system, the interaction degree of molecules and ions depends on pH, temperature, and concentration, as well as specific surface availability [ 170 , 171 ]. The attractive force between adsorbent and adsorbent can be classified into physical and chemical adsorption [ 172 ].…”

Section: Wastewater Treatmentmentioning

confidence: 99%

Metal Oxides Nanoparticles: General Structural Description, Chemical, Physical, and Biological Synthesis Methods, Role in Pesticides and Heavy Metal Removal through Wastewater Treatment

Alhalili

2023

Molecules

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Nanotechnology (NT) is now firmly established in both the private home and commercial markets. Due to its unique properties, NT has been fully applied within multiple sectors like pharmacy and medicine, as well as industries like chemical, electrical, food manufacturing, and military, besides other economic sectors. With the growing demand for environmental resources from an ever-growing world population, NT application is a very advanced new area in the environmental sector and offers several advantages. A novel template synthesis approach is being used for the promising metal oxide nanostructures preparation. Synthesis of template-assisted nanomaterials promotes a greener and more promising protocol compared to traditional synthesis methods such as sol-gel and hydrothermal synthesis, and endows products with desirable properties and applications. It provides a comprehensive general view of current developments in the areas of drinking water treatment, wastewater treatment, agriculture, and remediation. In the field of wastewater treatment, we focus on the adsorption of heavy metals and persistent substances and the improved photocatalytic decomposition of the most common wastewater pollutants. The drinking water treatment section covers enhanced pathogen disinfection and heavy metal removal, point-of-use treatment, and organic removal applications, including the latest advances in pesticide removal.

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“…23–29 Scientists have a diverse array of theoretical levels at their disposal, empowering them to investigate atomic mechanisms with great flexibility. 30–34…”

Section: Introductionmentioning

confidence: 99%

Multiscale modeling of VOC–graphene nanostructure interactions: designing new sorbents for portable mass spectrometric applications

Armaković,

Aleksić,

Giannoukos

et al. 2023

J. Anal. At. Spectrom.

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Methylphenidate adsorption onto graphene derivatives: theory and experiment

Abstract: In this manuscript, we report a study on the removal of contaminant methylphenidate from aqueous solution, including ab initio simulations and experimental adsorption, applying graphene oxide and reduced graphene oxide as adsorbents.

Cited by 27 publications

References 54 publications

Combining multi-scale simulations and experiments to unveil the adsorption of methylene blue in graphene tridimensional-based materials

Combining multi-scale simulations and experiments to unveil the adsorption of methylene blue in graphene tridimensional-based materials

Metal Oxides Nanoparticles: General Structural Description, Chemical, Physical, and Biological Synthesis Methods, Role in Pesticides and Heavy Metal Removal through Wastewater Treatment

Multiscale modeling of VOC–graphene nanostructure interactions: designing new sorbents for portable mass spectrometric applications

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