Diacetate Cellulose-Silicon Bionanocomposite Adsorbent for Recovery of Heavy Metal Ions and Benzene Vapours: An Experimental and Theoretical Investigation
Annotatsiya
The diacetate cellulose-silicon bionanocomposite adsorbent (DACSBNC) was first introduced to recover heavy metal ions and benzene vapors. The adsorption thermodynamics of heavy metal ions and benzene vapors on the DACSBNC was first investigated by the adsorption-calorimetric, X-ray, and theoretical methods. The observed results confirmed that (i) the adsorption capacitance of DACSBNC for cadmium (II), mercury (II), and lead (II) ions were accounted for 12.23, 13.87, and 31.40 mg/g, respectively; (ii) the sorption capacitance of DACSBNC for benzene vapors was 0.5618 mmol/g. The quantum chemical calculation was also carried out on the density functional theory (DFT) using the 6-31G (d, p)/B3LYP basis sets in Gaussian 09. The results of the quantum chemical analysis support the experimental results.