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Herein, a modified polyaniline nanocomposite containing CoFeC6N6 was prepared and tested for its sorption of Pb2+ and Ni2+ ions from aqueous solutions. The adsorbent was characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, Brunauer–Emmett–Teller and Fourier transform infrared analyses. The adsorption percentage increased with increasing CoFeC6N6 in the nanocomposite material. A pseudo-second-order model and Langmuir adsorption described the behavior of the material. Additionally, the adsorption capacity was increased by increasing the temperature. The prediction of concentrations was performed using a model based on pore diffusion and the implicit finite difference method. From a mass transfer standpoint, the best data set of D e for Pb2+ (1.12 × 10–9 m2 s–1) and Ni2+ (0.98 × 10–13 m2 s–1) was determined.

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