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Modeling of Cd(II) adsorption on iron (hydr)oxide–organic composites: deviations from additive adsorption in composite sorption systems
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Modeling of Cd(II) adsorption on iron (hydr)oxide–organic composites: deviations from additive adsorption in composite sorption systems
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Journal Article
Modeling of Cd(II) adsorption on iron (hydr)oxide–organic composites: deviations from additive adsorption in composite sorption systems
2024
Overview
Due to the complexity of ligand-charge distribution models and the controversies regarding the additivity of heavy metal adsorption on iron (hydr)oxides–organic composites, a convenient criterion for determining additivity was proposed in this study, based on the modeling results of the component additivity method and the Cd adsorption mechanisms on the composites. The content of humic acid (HA) (3–41%) and iron (hydr)oxides properties (e.g., specific surface area) are the main factors affecting the simulation results. The reason is that the electrostatic interaction between the components in composites changes the affinity between them and Cd. By optimizing the stability constants for Cd adsorption on ferrihydrite (Fh)/goethite (Gt) and HA, the simulation deviation of Cd adsorption on Fh–HA composites can be reduced from around 10% to less than 5%, while that on Gt–HA composites can be reduced from 10 to 60% to less than 10%. The carboxyl group of HA (HA–COOH) and the single-coordinated hydroxyl group of iron minerals (≡FeOH
0.5−
) are the main functional groups that bind to Cd. The ratio of covered HA–COOH (i.e., deactivated HA–COOH) to ≡FeOH
0.5−
can be used as a criterion for determining additivity. When the ratio exceeds 0.2, the simulation deviation caused by electrostatic interaction cannot be ignored and it is necessary to optimize the stability constant for Cd adsorption on each component. This method is convenient to predict adsorption of cationic heavy metals on iron (hydr)oxides–organic composites in the environment.
Publisher
Springer Berlin Heidelberg,Springer Nature B.V
Subject
