The strategy of three-dimensional Covalent Organic Frameworks to exclude dye contaminants in aqueous solutions
Afsaneh Ghahari,
Farzaneh Farzad,
Reza Azadnejad
Abstract:The development of effective solid adsorbents is necessary to remove organic pollutants from wastewater in response to the global water crisis. The present study investigates the adsorption behavior of dye pollutants on a 1, 3, 6, 8-tetrakis (4formylphenyl) pyrene (TFPPy) for the self-assembly of an innovative three-dimensional (3D) covalent organic frameworks (COFs). Molecular dynamics (MD) and the well-tempered metadynamics simulation were used to evaluate the ability of COFs to adsorb seven types of dye pol… Show more
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