Phosphorus adsorbed by HCl desorption–activated red mud adsorbents: a molecular dynamics studys
Longjiang Li,
Zhiwen Yang,
Yueqin Qiu
et al.
Abstract:In this study, modified red mud after phosphorus adsorption was used as the adsorbent, and hydrochloric acid and deionized water were used as desorbents to desorb phosphorus. The components in the adsorbent were optimized based on density functional theory, and adsorbent and desorbent models were established. Molecular dynamics simulation was performed to determine the phosphorus concentration before and after desorption, interaction energies, radial distribution function(RDF), mean-square displacement(MSD), a… Show more
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