The numerical study of the decontamination of lead(II) ions-rich effluent employing activated carbon derived from cashew nut shell was the central focus of this work. Chemical activation with zinc chloride (ZnCl2) was used to produce powdered activated carbon at optimized activation conditions of impregnation ratio (0.531), activation temperature (1083 K) and activation time (63min). The physiochemical properties of raw and activated cashew nut shell were determined using Fourier transform infrared spectroscopy, scanning, X-ray diffractor (XRD), scanning electron microscopy (SEM), and Brunauer-Emmet-Teller (BET) analyses. Batch adsorption experiments were performed at varied process conditions of temperature (303–323) K, contact time (5–80min), and initial lead(II) ion concentrations (100–400 mg.L−1). The adsorption behavior of the batch–type operation was mathematically described in the form of non-linear parabolic partial differential equations (PDE’S) incorporating film, pore and surface diffusion mechanisms. The batch mathematical model was solved by implementing a custom MATLAB program-OkiyNwabannebatch and calibrated to predict the desired response (percentage removal) using measured adsorption data. The equilibrium adsorption, kinetics and thermodynamics of lead(II) ions adsorption onto activated cashew nut shell were also assessed using nonlinear isotherm, kinetic and thermodynamic models. Sensitivity analysis unveiled that temperature with sensitivity value of 37.31 % had a predominant effect on the model performance. The simulated equilibrium data was well explicated by the Freundlich model for lead(II) ions adsorption onto activated cashew nut shell. The pseudo-second order kinetic model best reproduced the simulated adsorption data for lead(II) ions uptake by cashew nut shell adsorbent. Likewise, the kinetic data followed Boyd model, indicating that the adsorption process is controlled by external (film) diffusion for the uptake of lead(II) ions by alkali activated cashew nut shell. Thermodynamic analysis using the Gibbs and Van’t Hoff’s models indicated that lead(II) ions adsorption by modified cashew nut shell is spontaneous and exothermic. The physical nature of the adsorption process was elucidated from the low values of the isosteric heats of adsorption (ΔHX) evaluated (<80 kJ mol−1). This study showed that zinc chloride activated cashew nut shell has good potential to be used as a cost-effective and efficient adsorbent for the uptake of lead(II) ions from aqueous solution.
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