Activated carbon synthetized from Sargassum (sp) for adsorption of caffeine: Understanding the adsorption mechanism using molecular modeling

Sustainable hierarchically porous carbons from bio-oil to remove emerging contaminants

“…In the work of Francoeur et al, 140 which achieved a maximum capacity of 212.07 mg g À1 , there was greater functionalization with oxygenated groups on the carbons obtained, resulting in a negatively charged surface at the studied pH. These favored interactions such as the ion-dipole and p-p type interactions, thereby increasing the efficiency of adsorption.…”

“…For CAF adsorption, the synthesized HPC_ T exhibited maximum adsorption capacities higher than several adsorbents described in the literature (Table 4), and similar capacities to those of activated carbons and carbon xerogels. In the work of Francoeur et al , 140 activated carbons were produced from Sargassum ssp algae with S BET = 754 m 2 g −1 and V total = 0.95 cm 3 g −1 . The produced activated carbons had a pH PZC value of 2.10, and the pH that showed the best adsorption values was 6, at which a q max of 212.07 mg g −1 was achieved.…”

Mechanism and behavior of caffeine sorption: affecting factors

“…Acid treatment, organic modication, surfactant modication, polymer modi-cation, heat treatment, and other activation processes are examples. 13,17,[37][38][39] The most commonly used and preferred methods are heat treatment and acid treatment to functionalize the adsorbent.…”

Role of Basic Surface Groups of Activated Carbon in Chlordecone and β-Hexachlorocyclohexane Adsorption: A Molecular Modelling Study

“…Recently, the utilization of carbon-based materials as a highly efficient adsorbent for pollution remediation has drawn more and more attention due to their versatility and favorable properties, such as high surface area, porosity, and specific chemical properties, which allow for interaction with different chemical compounds [12,13]. However, the surface chemistry of the carbon is also an important factor; this is evident from the constantly increasing number of publications dealing with this topic [13][14][15][16]. Indeed, the efficiency of AC adsorption strongly depends on the specific interactions between adsorbent and adsorbate, which, in turn, mainly depend on their chemical properties [13].…”

“…In addition, the adsorption mechanism is also influenced by the solute properties, such as molecular size, solubility, ability for dissociation, and physicochemical properties [17]. However, even though ACs are commonly used in water treatment for removal of inorganic and organic molecules [16,18,19], knowledge of its adsorption mechanism for environmental pollutants is very limited, and for many pollutants, such knowledge does not exist at all.…”