For the removal of Ld²⁺, cellulose nanocrystals (CNCs) were produced and modified (jelly-like) and then utilized as the adsorbent. The properties of CNCs such as surface area, chemical structure and composition were determined using the Fourier Transform Infrared Spectroscopy and Scanning Electron Microscopy analysis. In addition to how well they predicted reaction (adsorption capacity), one factor at a time (factorial method) was used. The process was further studied by implementing the kinetic models, thermodynamics studies and the adsorption isotherm. The AAS was used to determine the concentration of the element in the samples. Initially, a concentration of 100 mg/L, an adsorbent dosage of 5g, a pH of 6 and temperature of 25°C were to be kept constant when one parameter was being tested. After 120 minutes, adsorption capacity was 400.01 mg/g. The results showed that the modified CNCs exhibited high lead(II) removal efficiencies, with maximum removal capacities of 80-98%. The adsorption process was discovered to be pH-dependent, with optimal removal at pH 4-6 where the removal started reaching equilibrium. The FTIR and SEM findings for CNCs showed that the hydrogels had a network structure and more homogenous pores. The pseudo-second-order rate model was used to ascertain the adsorption kinetics. To achieve the best placement for adsorption, H_OMO−L_UMO energy binding differences were used.