Abstract
The rapid increase of industrial activities leads to serious environmental pollution, especially, in aqueous systems and particularly with heavy metals. Cadmium, one of the most poisonous elements, is rapidly accumulated in the human body, therefore, the efficient removal of cadmium ions from wastewater is an urgent need. Coordination networks (CNs) and its subdivision metal-organic frameworks (MOFs), are structured porous composites which present various special properties. In this work two CNs were used as adsorbent materials for the removal of Cd(II) ions from aqueous solutions. By the reaction of CoSO4·7H2O and NiSO4·7H2O with N,N-bis(phosphonomethyl)glycine (Gly) in hydrothermal conditions two CNs—Co–Gly and Ni–Gly— were synthesized, respectively. Cadmium adsorption onto the studied CNs was conducted in batch mode, and the effect of pH, initial concentration, contact time, temperature and sorbent weight on the sorption process were investigated. Parametric Method 3 (PM3)semi-empirical analyses of the CNs’ structural properties were performed in order to predict the adsorption properties. For this reason, two octahedral models were calculated and computational predictions were compared with the experimental results. Both computational and experimental adsorption studies found that Ni–Gly presents higher affinity for cadmium ions. Moreover, the adsorbent materials can be readily regenerated and recycled without significant loss of cadmium uptake capacity.
Highlights
The major drawbacks of the industrial development are the quantity and diversity of wastes which are discharged in the environment
To the best of our knowledge, so far only a few studies have reported the removal of cadmium ions from aqueous solutions throughadsorption onto metal-organic frameworks (MOFs) materials, in which some composites such as cyclodextrin metal-organic framework-based nanoporous carbon [24] and sulfonated MOF loaded onto iron oxide nanoparticles (Fe3O4@MOF235(Fe)–OSO3H were used [25]
Like other studies [49], our findings show that the semiempirical methods are valuable tools to be used in adsorption processes involving coordination networks (CNs)
Summary
The major drawbacks of the industrial development are the quantity and diversity of wastes which are discharged in the environment. To the best of our knowledge, so far only a few studies have reported the removal of cadmium ions from aqueous solutions throughadsorption onto MOF materials, in which some composites such as cyclodextrin metal-organic framework-based nanoporous carbon [24] and sulfonated MOF loaded onto iron oxide nanoparticles (Fe3O4@MOF235(Fe)–OSO3H were used [25]. The preparation of these materials involves the use of greater quantities of reagents and many preparation steps, which lead to an increase of the production costs. Bond lengths/angles, torsion angles and partial charges for the central metal ions Ni and Co coordination networks are compared
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