Filter design for arsenic species in aqueous environments: An ab initio optimization of the absorbing capacity of magnetite-based arsenic filters
Materials Letters(2021)
摘要
•Optimization of magnetite nanoparticle’s adsorption capacity in the DFT framework.•Arsenic filter design arousing from DFT-based optimized adsorption properties.•Mathematical models of collective adsorption in a macroscopic filter.
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关键词
Environmental remediation,As removal,Design of magnetite filters,Adsorption mechanism,DFT calculations
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