Adsorption of sodium diclofenac on graphene: a combined experimental and theoretical study

Abstract

The interactions of sodium diclofenac drug (s-DCF) with different graphene species were investigated using both first principles calculations based on Density Functional Theory (DFT) and adsorption experiments. Through batch adsorption experiments, it was found that rGO was a good adsorbent for removing the s-DCF drug from aqueous solutions. The general-order kinetic model shows the best fit to the experimental data compared with pseudo-first order and pseudo-second order kinetic adsorption models. The equilibrium data (at 25 °C) were fitted to the Liu isotherm model. The maximum sorption capacity for adsorption of the s-DCF drug was 59.67 mg g(-1) for rGO. The s-DCF adsorption onto pristine graphene, graphene with a vacancy, reduced oxide graphene (rGO) and functionalized graphene nanoribbons were simulated providing a good understanding of the adsorption process of this molecule on graphene-family surfaces. The results predict a physisorption regime in all cases. Based on these results, the ab initio calculations and the adsorption experiments point out that the graphene-family are promising materials for extracting s-DCF from wastewater effluents.

Mitigation of Diclofenac Pollution in Aqueous Media by Adsorption

“…Jauris et al. used graphene whilst Nam et al. used graphene oxide for diclofenac sorption in their studies.…”

“…This was done to increase the number of pores in the adsorbent and altered the surface chemistry in favor of adsorption. Jauris et al [40] used graphene whilst Nam et al [41] used graphene oxide for diclofenac sorption in their studies. A lot of other materials have been considered for diclofenac uptake from aqueous solution, incl.…”

“…1 serves as a good Graphene nano-adsorbent 69. 41 Langmuir [40] inventory of the reseaerch findings and could guide future researchers in the choice of adsorbent or modifiction technique in subsequent diclofenac adsortion experiments.…”

“…Pseudo-second order [36] Isabel grape bagasse Freundlich Pseudo-second order [37] Polyaniline -Pseudo-second order [61] Commercial AC Freundlich - [84] Cocoa pod husk biosorbent (modified by sulfuric acid) Freundlich Pseudo-second order [39] Graphene nano-adsorbent Liu General order [40] AC from Cyclamen persicum tubers Freundlich - [45] Montmorillonite clay Langmuir - [28] AC from olive stones BET Pseudo-second order [46] g-Fe 2 O 3 nanoparticles Langmuir Pseudo-first order [76] Zeolitic imidazole framework (modified by cetyltrimethylammonium bromide)…”

Adsorption of trans‐ and cis‐Resveratrol on Graphene

“…Unfortunately, a limiting factor for its formulation and bioavailability is that RESV shows low aqueous solubility and sensitivity to external agents . In order to circumvent these shortcomings, the formation of inclusion complexes of RESV with nanocarriers has been proposed . Due to their large surface area, the graphene‐based nanomaterials, are ideal candidates for practical applications in various fields, including nanomedicine .…”