Facile Synthesis of ZIF-67-Incorporated Electrospun PVA Nanofibers Composite for Efficient Pb (II) Adsorption from Water: Docking and Experimental Studies
Simranjeet Singh, N. Pavithra, Basavaraju Uppara, Radhika Varshney, Nabila Shehata, Nadeem A. Khan, Jinu Joji, Joginder Singh, Praveen C. Ramamurthy
Abstract
This study addresses the critical challenge of removing lead (Pb 2+ ) from wastewater due to its high toxicity. ZIF-67/PVA nanofibers were developed by integrating zeolitic imidazolate framework (ZIF-67) nanoparticles into electrospun poly(vinyl alcohol) (PVA). The synthesized material was thoroughly characterized using SEM, Raman spectroscopy, XRD, FTIR, TGA, and XPS. Adsorption studies of Pb 2+ were conducted by varying parameters such as initial concentration, ZIF-67/PVA dosage, pH, and contact time. The adsorption process was analyzed using both linear and nonlinear isotherms, with the data best fitting the PFO and Avrami kinetic models ( R 2 = 0.98) and the nonlinear Freundlich isotherm model ( R 2 = 0.91). The nanofibers demonstrated high efficacy, with a maximum Pb 2+ adsorption capacity of 140.3 mg g –1 at pH 6, initial ion concentration of 10 and 20 mg L –1 ZIF-67/PVA. Molecular docking simulations indicated that the adsorption primarily involves electrostatic and hydrogen-bonding interactions. The results highlight the potential of ZIF-67/PVA nanofibers for water treatment, emphasizing their effectiveness, regeneration capability, and suitability for sustainable remediation applications.