A sonochemical method was employed in the synthesis of nickel aluminum layered double hydroxides (NiAl-LDH) and the materials were used as adsorbents for the removal of the reactive azo dye, Remazol Brilliant Violet (RBV-5r). The experimental data obtained for microstructure were compared and both the arrangement and orientation of the intercalated dye species were examined using molecular dynamics (MD) simulations. The obtained materials were characterized by X-ray diffraction (XRD), nitrogen sorption (BET), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and Fourier transformation infrared spectroscopy (FTIR). The adsorption characteristics were studied in a batch process by optimizing different parameters such as calcination temperature, contact time, initial dye concentration, solution pH, and solution temperature. NiAl-LDH material synthesized by sonochemical (SC) methods and calcined at 250 °C (NiAl-C250SC) showed the best dye removal effi...
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