Bioremoval of lead ion from the aquatic environment using lignocellulosic (Zea mays), thermodynamics modeling, and MC simulation

Lead (Pb +2 ) ions considered a crucial neurotoxic heavy metal result in serious troubles in the live biological environment including poisoning, and liver and kidney shortage, in addition to anemia, hepatitis, encephalopathy, and renal syndrome. In the current study, the biomass of Zea mays (ZMS) was prepared as a biosorbent for the elimination of Pb +2 ions from the aquatic environment in batch mode relevant to contact time, pH solution, biosorbent dose, and temperature. The Zea mays biomass was characterized using an SEM microscope coupled with EDX, FTIR, XRD, and BET surface area analysis to investigate the modification of chemical structure for the biosorption system. According to the biosorption experiments, the supreme biosorbent capability of ZMS approaches 16.9 mg/g for 180 min at pH = 5.5. The evaluation of kinetics analysis reveals that the (Pb +2 ) biosorption by ZMS was better described with pseudo-second-order kinetics. In addition, the nonlinear regression of Freundlich, Langmuir, Temkin, and Elovich isothermal models was modeled to the equilibrium data, and it was deduced that the Langmuir isotherm provides a better fit than Langmuir based on the correlation coefficient values. The thermodynamic factors were calculated for this biosorption process in which the lead ions are sequestered by the ZMS. According to these factors, it was elucidated that the (Pb +2 ) ions biosorption onto the Zea mays sponge is exothermic and spontaneous. In addition, Monte Carlo (MC) simulations were conducted to screen the adsorption competence of pigments and ligands in Zea mays for Pb +2 ions adsorption. The outputs of experimental and simulation studies proved the potentiality of Zea mays sponge (ZMS) as a promising biosorbent for eliminating heavy metallic elements from aqueous media.