For the first time, functionalized asphaltene has been designed, synthesized, and used for the removal of heavy metals from the water. Asphaltene was separated from the crude oil with the addition of n-alkanes. Asphaltene having a complex chemical structure including multilayered and clustered aromatic fused rings bearing aliphatic chains. Asphaltene also contains heteroatoms like N, S, and O atoms along with Ni and V as prominent trace metals. On functionalization of asphaltene with nitric acid, the aliphatic chains and some of the naphthenic rings broke down and developed -COOH, -C=O, C-O, and other oxygen functional groups which are playing key roles as surface-active agents in the removal of the heavy metals via chemisorption. The study was conducted using different parameters such as dose, time, pH, and concentration. The adsorption efficiency for this material at pH 4 is excellent for the removal of chromium and lead. The Langmuir, Freundlich and Temkin adsorption isotherm models as well as Lagergren pseudo second-order kinetic model were investigated. The positive enthalpies Delta Hs confirm that the adsorption process is endothermic and the negative free energies Delta Gs confirm the spontaneity of the process. The good efficiency of the adsorption implies the efficacy in the removal of the heavy metal ions, as well as the good efficiency in desorption, which implies the excellent recovery of the adsorbent. The effective reusability of this adsorbent makes it applicable for industrial water treatment from contaminants.