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        Synthesis of a new nanocomposite with the core TiO2/hydrogel: Brilliant green dye adsorption, isotherms, kinetics, and DFT studies

        Aseel M. Aljeboree,Nadher D. Radia,Layth Sameer Jasim,Abdulrahman A. Alwarthan,Mustafa M. Khadhim,Abbas Washeel Salman,Ayad F. Alkaim 한국공업화학회 2022 Journal of Industrial and Engineering Chemistry Vol.109 No.-

        New SA-g-P(AAc-co-MA)/TiO2 nanocomposite was synthesized using the free radical graft copolymerizationtechnique. The synthesized nanocomposite was characterized using FTIR, FE-SEM, XRD, TEM, TGA,and BET techniques. It was then utilized as an adsorbent for removing the Brilliant green (BG) dye froman aqueous solution. The effect of different factors like the initial concentration of the BG dye, pH of thesolution, and temperature have been studied. The experimental results were analyzed via the isothermFreundlich and Langmuir adsorption models. To have deep insight into the adsorption mechanism, thedensity functional theory (DFT) method was used. According to the analyses, the equilibrium results fittedcompletely with Freundlich isotherm; thus, the pseudo-first-order and pseudo-second-order kineticsand intra-particle diffusion models were utilized to determine the adsorption kinetic result. The optimalconditions for the studied parameters which revealed the highest adsorption were: T = 30 C, pH = 3,DGo = 6.87 kJ.mol1, DHo = 15.788 kJ.mol1, and DSo = 93.92 J.mol1.K1. The kinetics adsorptionwas consistent with the pseudo-second-order kinetic model, and the above-mentioned thermodynamicsvariables, DGo, DHo, and DSo, suggested that the adsorption of Brilliant green dye on synthesizednanocomposite was spontaneous and endothermic.

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