Molecular Dynamics Simulation of the Interaction between Common Metal Ions and Humic Acids

Humic acids (HAs) have important environmental and geochemical effects on soil, water environments and sediment. HAs strongly complex some metal ions, which affects the migration of metal ions and the colloidal aggregation of HA. Here, the complexation of Ca2+ and Mg2+ with HA in aqueous solution un...

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Veröffentlicht in:	Water (Basel) 2020-11, Vol.12 (11), p.3200
Hauptverfasser:	Wu, Xu, Xia, Yu, Yuan, Lianhua, Xia, Kaiyu, Jiang, Yu, Li, Na, He, Xuwen
Format:	Artikel
Sprache:	eng
Schlagworte:	Aqueous solutions Binding sites Calcium Calcium ions Complexation Energy Environmental effects Humic acid Humic acids Hydrogen bonds Magnesium Metal ions Molecular dynamics Monte Carlo simulation Petroleum chemicals Purification Sediments (Geology) Sewage Simulation Soil water Wastewater
Online-Zugang:	Volltext
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