A new
sustainable and environmentally friendly adsorbent based
on a β-ketoenol-pyrazole-thiophene receptor grafted onto a silica
surface was developed and applied to the removal of heavy-metal ions
(Pb(II), Cu(II), Zn(II), and Cd(II)) from aquatic medium. The new
material
SiNPz-Th
was well characterized and confirms
the success of covalent binding of the receptor on the silica surface.
The effect of environmental parameters on adsorption including pH,
contact time, temperature, and the initial concentration were investigated.
The maximum adsorption capacities of
SiNPz-Th
for Pb(II),
Cu(II), Zn(II), and Cd(II) ions were 102.20, 76.42, 68.95, and 32.68
mg/g, respectively, at 30 min and pH = 6. The adsorption isotherms,
kinetics, and thermodynamic process were investigated and showed efficiency
and selectivity toward Pb(II) and good regeneration performance. Density
functional theory, noncovalent-interaction, and quantum theory of
atoms in molecules calculations were used to study and to gain a deeper
understanding of both the adsorption mechanism and selectivity of
metal ions onto the adsorbent. Accordingly, metal ions such as Pb(II),
Cu(II), and Zn(II) were bidentate coordinated with the adsorbent by
nitrogen and oxygen atoms of the Schiff base C=N and hydroxyl
group −OH, respectively, to form stable complexes. Whereas
Cd(II) was coordinated in a monodentate fashion with oxygen atom of
the hydroxyl group. Furthermore, the affinity of
SiNPz-Th
toward the metal ions was decreased in the order of Pb(II) >
Cu(II)
> Zn(II) > Cd(II), in good agreement with the experimental results.
All these results highlight that
SiNPz-Th
has good potential
to be an advanced adsorbent for the removal of lead ions from real
water.