Molecular dynamics simulation for the impact of an electrostatic field and impurity Mg ions on hard water

A detailed analysis of the structural parameters and dynamic parameters of hard water solutions under an external electrostatic field was performed by molecular dynamics (MD) simulations with the presence of impurity Mg 2+ ions. The CaCl 2 aqueous solution was chosen in the study as hard water becau...

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Veröffentlicht in:	RSC advances 2017-10, Vol.7 (75), p.47583-47591
Hauptverfasser:	Zhu, Lin, Han, Yong, Zhang, Chuanxin, Zhao, Ruikuan, Tang, Shoufeng
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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