Zeolites for aquatic pollutant removal
Zeolites are crystalline, microporous aluminosilicates with well-defined 3-dimensional structure, composed of tetrahedral SiO4 and AlO4 clusters connected to each other by shared oxygen atoms. By removing the Al content of the framework (for example by isomorphous substitution) the hydrophobicity of the zeolite can be increased, providing favorable adsorption characteristic to organic molecules. Additionally, the pore structure of zeolites enables them to selectively sort molecules based on size. These properties make zeolites widely applied (adsorbents, ion exchange beds, catalysts etc.) in several areas of industry. We apply state-of-the-art molecular simulation techniques to investigate the applicability of zeolites (and other type of porous materials) in aquatic pollutant removal applications.