Properties and computational insights of catalysts based on amide linked polymer for photo-Fenton remediation of Rhodamine B dye
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, CuFe2O4, based on a cellulose moiety as photo-Fenton catalys...
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2025-08-01
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| author | Asmaa M Fahim Khadiga Mohamed Abas |
| author_facet | Asmaa M Fahim Khadiga Mohamed Abas |
| author_sort | Asmaa M Fahim |
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| description | 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, CuFe2O4, based on a cellulose moiety as photo-Fenton catalysts. Firstly, the condensation of terephthaloyl dichloride with aminoacetophenone utilized to afford the corresponding N1,N4-bis(4-acetyl phenyl)terephthalamide (BAT), which easily reacts with carboxymethyl cellulose, resulting in the cleavage of H2O and chelation on the cellulose surface, forming the novel N1,N4-bis(4-acetyl phenyl) terephthalamide/carboxymethyl cellulose (BAT/CMC). It adsorbs bimetallic oxide, CuFe2O4 through physical interaction to form N1,N4-bis(4-acetylphenyl) terephthalamide/carboxymethyl cellulose/CuFe2O4 (BAT/CMC/CuFe2O4). 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/CuFe2O4) exhibits superior reactivity for Fenton-like reactions in degrading Rhodamine B (RhB) dye under solar irradiation compared to the prepared heterogeneous catalyst, CuFe2O4. Moreover, under optimal conditions, a comparative experiment between conventional and photo-Fenton catalytic degradation was conducted. After 80 min, BAT/CMC/CuFe2O4 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, R2. 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/CuFe2O4 with RhB dye using the B3LYP/LANL2DZ(G) basis set confirmed their hydrogen bond interaction and determined their different physical describitors. |
| format | Article |
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| institution | Kabale University |
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| spelling | doaj-art-58c433facc8243c092ab6d654b93a2a22025-08-24T11:29:51ZengNature PortfolioScientific Reports2045-23222025-08-0115112410.1038/s41598-025-13192-zProperties and computational insights of catalysts based on amide linked polymer for photo-Fenton remediation of Rhodamine B dyeAsmaa M Fahim0Khadiga Mohamed Abas1Department of Green Chemistry, National Research CentrePhysical Chemistry Department, Advanced Materials Technology and Mineral Resources Research Institute, National Research CentreAbstract 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, CuFe2O4, based on a cellulose moiety as photo-Fenton catalysts. Firstly, the condensation of terephthaloyl dichloride with aminoacetophenone utilized to afford the corresponding N1,N4-bis(4-acetyl phenyl)terephthalamide (BAT), which easily reacts with carboxymethyl cellulose, resulting in the cleavage of H2O and chelation on the cellulose surface, forming the novel N1,N4-bis(4-acetyl phenyl) terephthalamide/carboxymethyl cellulose (BAT/CMC). It adsorbs bimetallic oxide, CuFe2O4 through physical interaction to form N1,N4-bis(4-acetylphenyl) terephthalamide/carboxymethyl cellulose/CuFe2O4 (BAT/CMC/CuFe2O4). 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/CuFe2O4) exhibits superior reactivity for Fenton-like reactions in degrading Rhodamine B (RhB) dye under solar irradiation compared to the prepared heterogeneous catalyst, CuFe2O4. Moreover, under optimal conditions, a comparative experiment between conventional and photo-Fenton catalytic degradation was conducted. After 80 min, BAT/CMC/CuFe2O4 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, R2. 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/CuFe2O4 with RhB dye using the B3LYP/LANL2DZ(G) basis set confirmed their hydrogen bond interaction and determined their different physical describitors.https://doi.org/10.1038/s41598-025-13192-zAdvanced oxidation processes (AOPs)Photo-Fenton catalytic degradationAmide polymer/Cellulose compositeBimetallic oxide catalystTheortical studies |
| spellingShingle | Asmaa M Fahim Khadiga Mohamed Abas Properties and computational insights of catalysts based on amide linked polymer for photo-Fenton remediation of Rhodamine B dye Scientific Reports Advanced oxidation processes (AOPs) Photo-Fenton catalytic degradation Amide polymer/Cellulose composite Bimetallic oxide catalyst Theortical studies |
| title | Properties and computational insights of catalysts based on amide linked polymer for photo-Fenton remediation of Rhodamine B dye |
| title_full | Properties and computational insights of catalysts based on amide linked polymer for photo-Fenton remediation of Rhodamine B dye |
| title_fullStr | Properties and computational insights of catalysts based on amide linked polymer for photo-Fenton remediation of Rhodamine B dye |
| title_full_unstemmed | Properties and computational insights of catalysts based on amide linked polymer for photo-Fenton remediation of Rhodamine B dye |
| title_short | Properties and computational insights of catalysts based on amide linked polymer for photo-Fenton remediation of Rhodamine B dye |
| title_sort | properties and computational insights of catalysts based on amide linked polymer for photo fenton remediation of rhodamine b dye |
| topic | Advanced oxidation processes (AOPs) Photo-Fenton catalytic degradation Amide polymer/Cellulose composite Bimetallic oxide catalyst Theortical studies |
| url | https://doi.org/10.1038/s41598-025-13192-z |
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