Properties and computational insights of catalysts based on amide linked polymer for photo-Fenton remediation of Rhodamine B dye
Asmaa M. Fahim, Khadiga Mohamed Abas
Abstract
Abstract In this elucidation, the use of advanced oxidation processes (AOPs) is anticipated as a promising green technology for deducting water contamination. Here, we announce the use of an amide polymer accumulated with bimetallic oxide, CuFe 2 O 4 , based on a cellulose moiety as photo-Fenton catalysts. Firstly, the condensation of terephthaloyl dichloride with aminoacetophenone utilized to afford the corresponding N 1 ,N 4 -bis(4-acetyl phenyl)terephthalamide (BAT), which easily reacts with carboxymethyl cellulose, resulting in the cleavage of H 2 O and chelation on the cellulose surface, forming the novel N 1 ,N 4 -bis(4-acetyl phenyl) terephthalamide/carboxymethyl cellulose (BAT/CMC). It adsorbs bimetallic oxide, CuFe 2 O 4 through physical interaction to form N1,N4-bis(4-acetylphenyl) terephthalamide/carboxymethyl cellulose/CuFe 2 O 4 (BAT/CMC/CuFe 2 O 4 ). All synthesized compounds were confirmed through spectral analysis, including FT-IR, NMR, SEM, and XRD. In addition to nitrogen adsorption–desorption measurements of evaluated catalysts. Furthermore, the (BAT/CMC/CuFe 2 O 4 ) exhibits superior reactivity for Fenton-like reactions in degrading Rhodamine B (RhB) dye under solar irradiation compared to the prepared heterogeneous catalyst, CuFe 2 O 4 . Moreover, under optimal conditions, a comparative experiment between conventional and photo-Fenton catalytic degradation was conducted. After 80 min, BAT/CMC/CuFe 2 O 4 achieved a maximum removal efficiency for RhB of 39.5% at 303 K, while the photo-Fenton oxidation process completely decomposed RhB (94.2%). The first-order kinetic simulation is the most appropriate model for RhB onto all developed materials, as demonstrated by the higher values of correlation coefficients, R 2 . Thermodynamic studies disclosed that the system functions through endothermic, non-spontaneous processes; also, the created samples have activation energies (Ea) greater than 20 kJ/mol, suggesting a chemical mechanism for RhB decomposition. Four successive cycles were conducted to evaluate the reusability of developed catalysts under optimal conditions, with a drop-in degradation activity. Furhermore, the Density Functional Theory (DFT) investigation of BAT/CMC/CuFe 2 O 4 with RhB dye using the B3LYP/LANL2DZ(G) basis set confirmed their hydrogen bond interaction and determined their different physical describitors.