Felicitous cationic dye adsorption from aqueous solution using Sn- based catalysts: An incorporated experimental and theoretical research

Abstract

Toxic synthetic dyes, which possess complex aromatic structures, have been gotten out into wastewater from various arms. The adsorption technique has become an appealing approach for the elimination of dye pollutants from water in order to solve this problem. Little adsorption studies were done on the adsorbents of Sn-based catalysts in spite of their easy preparation; affordability and stable characteristics have made them some of the most sought-after adsorbent materials for study at this time. This work presents unparalleled comprehensive experimental research together with theoretical simulations at the DFT-B3LYP/6–31 G (d,P) level of theory for the carcinogenic cationic dye adsorption upon new modified binary Sn-based nanocomposites. The synthesis of SnO₂@SiO₂ nanocomposite with different types of surfactants system via surfactant-assisted ultrasonic sol gel method has hardly been discussed in the literature, which motivates us to synthesize this nanocomposite in this approach. According to both the experimental and theoretical results, the insertion of silica and different surfactant types resulted in significant improvement in their S_BET values, crystal size, zeta potential, uniformly pore size distribution, total pore volume, dipole moment, electronegativity, electrophilicity, energy gap, total energy, and the adsorption energy. The obtained adsorbent characteristics proposed that the synthesized surfactant-assisted-modified composites can be hard done as excellent adsorbents for the carcinogenic cationic dyes present in the industrial wastewater. It is detected to adsorb ∼100 % of methylene blue (MB) from aqueous solution within just 5 min. at room temperature and normal pH. The impact of variables such as the adsorbent dose, contact time, temperature, pH, and the initial dye concentration was examined. The kinetic and isotherm models determined that the pseudo-second order and Langmuir isotherm models, respectively, suit the data well. An integrated experimental and theoretical study for the MB dye adsorption reaction mechanism onto the SnO₂@SiO₂ nanocomposite was discussed in detail. Comparison evaluation with other adsorbents in literature was done.