Experimental and computational studies on corn-silk doped molecular imprinted polymer for the sequestration of crystal violet from aqueous solution

The capabilities of corn-silk doped molecularly imprinted polymer (CSDMIP) and its non-imprinted counterpart (CSDNIP), prepared using styrene as a functional monomer, in the adsorption of crystal violet (CV) dye were tested. The polymers were characterized by X-ray diffractometry (XRD), Fourier-transform infrared spectroscopy (FTIR), Thermogravimetry analysis (TGA) and scanning electron microscopy (SEM). The adsorbent potency in the dye removal was investigated by varying the effect of pH, time, dye concentration and temperature. A good removal efficiency of CV in the range of 95-99% was achieved for the imprinted polymer. 2 Correlation coefficient R value was the criterion in order to select the best kinetic and isothermal models. Pseudo-second-order model displayed a better fitness for kinetics data compared to the Elovich, Weber-Morris and pseudo-first order models. Likewise, Freundlich isothermal model depicted a better fit for the adsorption 2 data for CV dye, demonstrating R values of 0.9998 and 0.9999 for both CSDMIP and CSDNIP, respectively. The adsorption process was described as spontaneous and exothermic attributable to the negative o o thermodynamic parametrical values of DG and DH . In comparison to other selected adsorbents, CSDMIP -1 was found more efficient with Langmuir adsorption capacity of 181.82 mgg . In addition, the CSDMIP had an interestingly high reusability potential of ˃97% up to the sixth cycle. Computational study employed to validate the experimental analysis, gave a good result. Applicability of the developed adsorbent in real textile wastewater gave over 83% efficiency, suggestive of a promising adsorbent for the sequestration of CV from solution.