화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Journal of Industrial and Engineering Chemistry, Vol.109, 475-485, May, 2022
DOI10.1016/j.jiec.2022.02.031  Export Citation
Synthesis of a new nanocomposite with the core TiO2/hydrogel: Brilliant green dye adsorption, isotherms, kinetics, and DFT studies
Aseel M. Aljeboree1, Nadher D. Radia2, Layth Sameer Jasim2, Abdulrahman A. Alwarthan3, Mustafa M. Khadhim4, 5, Abbas Washeel Salman6, †, and Ayad F. Alkaim1, †
  • 1Department of Chemistry, College of Science for Women/University of Babylon, Iraq
  • 2University of Al-Qadisiyah, Al-Qadisiyah, Iraq
  • 3Chemistry Department, Science College, King Saud University, P.O.Box 2455, Riyadh, Saudi Arabia
  • 4Department of Dentistry, Kut University College, Kut, Wasit 52001, Iraq
  • 5College of Technical Engineering, The Islamic University, Najaf, Iraq
  • 6Department of Production, College of Agriculture, Wasit University, Kut, Wasit 52001, Iraq
E-mail:,
New SA-g-P(AAc-co-MA)/TiO2 nanocomposite was synthesized using the free radical graft copolymerization technique. 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 from an aqueous solution. The effect of different factors like the initial concentration of the BG dye, pH of the solution, and temperature have been studied. The experimental results were analyzed via the isotherm Freundlich and Langmuir adsorption models. To have deep insight into the adsorption mechanism, the density functional theory (DFT) method was used. According to the analyses, the equilibrium results fitted completely with Freundlich isotherm; thus, the pseudo-first-order and pseudo-second-order kinetics and intra-particle diffusion models were utilized to determine the adsorption kinetic result. The optimal conditions for the studied parameters which revealed the highest adsorption were: T = 30 ℃, pH = 3, DGo = -6.87 kJ.mol-1, DHo = 15.788 kJ.mol-1, and DSo = 93.92 J.mol-1.K-1. The kinetics adsorption was consistent with the pseudo-second-order kinetic model, and the above-mentioned thermodynamics variables, DGo, DHo, and DSo, suggested that the adsorption of Brilliant green dye on synthesized nanocomposite was spontaneous and endothermic.
Keywords:Adsorption;Nanocomposite;Brilliant green;TiO2;Hydrogel;DFT
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