This study focuses on dynamic modelling and numerical simulation of lead removal from contaminated water using a fixed-bed adsorption column packed with waste-based adsorbents. The pressing need for efficient and sustainable water treatment methods, particularly for heavy metal removal, underscores the significance of this research. Lead contamination in water sources poses severe health risks, necessitating the development of effective removal strategies. The present investigation centres on a comprehensive mathematical model that considers critical parameters, including the column’s physical dimensions, flow rate, initial lead concentration, adsorption rate constant, and adsorbent density. This model is expressed as a partial differential equation (PDE) describing the temporal and spatial evolution of lead concentration along the fixed-bed column. To solve the PDE, the method of lines, a powerful numerical technique that discretises the spatial domain and handles the resulting system of ordinary differential equations (ODEs) using an adaptive solver, is employed. Following that, the effect factors of the simulation process are evaluated by sensitive analysis approach. Simulations are conducted to elucidate the intricate dynamics of lead removal over time and column height. The numerical approach enables the prediction of lead concentration profiles within the column at various time intervals, providing crucial insights into the behavior of the adsorption process.