Experimental and computational investigation on Polyaniline/Zno nanocomposite for dye adsorption

Present study reports computational simulations and experimental procedures for the synthesis of Polyani-line/Zinc oxide (PAni/ZnO) nanocomposite and investigate its efficiency as an adsorbent for Methyl Orange (MeO) dye. The nanocomposite was fabricated using a chemical oxidative polymerization method and characterized through FT-IR, Powder XRD and FE-SEM spectroscopic techniques. There is substantial reduction in optical band gap of the nanocomposite in comparison to pristine polymer and ZnO unit. Red shift in the absorption spectrum confirms the suitability of the proposed composite for sensing and adsorption. Effect of pH/contact time/adsorbent dosage and dye concentration on the adsorption process has been elucidated in detail. Kinetics and thermodynamics of dye adsorption have been understood through calculation of adsorption energy and isotherms. The novel nanocomposite proposed here stands the test of rigorous computational and experimental investigations to establish its efficacy as a potential adsorbent for environment remediation.