In this paper, MXene nanosheets were used as nano additives for the preparation of MXene-modified polyvinyl chloride (PVC) mixed max membranes (MMMs) for the rejection of lead (Pb²⁺) ions from wastewater. MXene nanosheets were introduced into the PVC matrix to enhance membrane performance, hydrophilicity, contact angle, porosity, and resistance to fouling. Modeling and optimization techniques were used to examine the effects of important operational and fabrication parameters, such as pH, contaminant concentration, nanoadditive (MXene) content, and operating pressure. Predictive models were developed using experimental data to assess the membranes’ performance in terms of flux and Pb²⁺ rejection. The ideal circumstances that struck a balance between long-term operating stability and high removal efficiency were found through multi-variable optimization. The optimized conditions for the best rejection of Pb²⁺ ions and the most stable permeability over time among the membranes that were manufactured were the initial metal ions concentration (2 mg/L), pH (7.89), pressure (2.99 bar), and MXene mass (0.3 g). The possibility of combining MXene nanoparticles with methodical optimization techniques to create efficient membranes for the removal of heavy metals in wastewater treatment applications is highlighted by this work.