RESUMO
The aquatic plant water hyacinth was dried then cross-linked with sodium alginate to produce ionic cross-linked microspheres. The mechanism of controlling cadmium (Cd) and lead (Pb) in wastewater was tested by DFT at B3LYP level using LANL2DZ basis set. Modeling results indicated that the hydrated metals could interact with sodium alginate (SA)/water hyacinth (WH) microspheres through hydrogen bonding. Adsorption energies showed comparable results while total dipole moment and HOMO/LUMO band gap energy showed slight selectivity towards the remediation of Pb. FTIR spectra of cross-linked microspheres indicated that WH is forming a composite with SA to change its structure into a microsphere to remove Cd and Pb from water. Raman mapping revealed that the active sites along the surface of the microspheres enable for possible adsorption of metals through its surface. This finding is supported by molecular electrostatic potential and optical confocal microscopy. Atomic absorption spectroscopy results confirmed that the microspheres are more selective for Pb than Cd. It could be concluded that WH cross-linked with SA showed the potential to remove heavy metals through its unique active surface as confirmed by both molecular modeling and experimental findings.