مشخصات پژوهش

خانه /Dual-functional ball-milled ...
عنوان
Dual-functional ball-milled Clay-Fe-Ti composites for efficient adsorption and photocatalytic regeneration of Ni(II), Pd(II) and Pt(II) ions: Combined DFT, ANN-GA, and experimental insights
نوع پژوهش مقالات در نشریات
کلیدواژه‌ها
Clay, Ball milling, Adsorption, Density functional theory, Artificial neural network.
چکیده
This study investigates dual-functional ball-milled Clay-Fe-Ti composites for efficient adsorption and photocatalytic regeneration of Ni(II), Pd(II), and Pt(II) ions. The nanocomposite achieved 79.5% removal efficiency for mixed metal ions, with a maximum adsorption capacity of 65.4 mg/g. Optimal conditions were determined via ANN-GA optimization: pH 3.5, 46.8°C, 5.9 g/L Clay-Fe-Ti, 37 W lamp power, and 3.7 g/L calixarenes on XAD. Adsorption followed the Freundlich isotherm (heterogeneous interactions) and Fractal-like-pseudo-first-order kinetics. Density functional theory (DFT) confirmed the material’s stability and adsorption mechanisms. Combining experimental design (RSM) with computational modeling (ANN-GA), the composite demonstrates regenerable photocatalytic activity after metal uptake, enabling repeated cycles. These results highlight Clay-Fe-Ti as a sustainable, cost-effective solution for heavy metal remediation, bridging adsorption and catalytic degradation in wastewater treatment.
پژوهشگران سعید زارعی (مجقق پسادکتری) (نفر اول)، حسین رعنایی (نفر دوم)، وحید محمد حسینی (نفر سوم)، سعید کمالی (نفر چهارم)
تاریخ انجام 1404-10-24