The need for reasonably priced adsorbents with the ability to adsorb Hg(II) ions from industrial waste waters and effluents is rising. Consequently, the plentiful lignocellulosic material that was rejected from aroma crop extraction plants and industries. As a byproduct, vertiver grass (VG) root is used to bind mercury ions from lab solutions that have been prepared with khus oil. According to the Langmuir model, VG has a significant potential capacity (87.5 mg/g) at optimized pH 5.0 for the removal of Hg(II) ions. The pseudo-second-order model for the kinetic study was found to best support the adsorption process. The adsorption mechanism is well explained based on supporting results obtained from adsorption isotherms and FTIR analysis. Surface complexation/ion exchange is involved in VG adsorbent. The adsorption experimental process was studied with the application of various influencing factors, i.e., Hg(II) ion concentration, contact time, pH effect, and adsorption isotherms.