Mechanism of adsorption affinity and capacity of Mg(OH)2 to uranyl revealed by molecular dynamics simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (37) ◽  
pp. 31507-31513 ◽  
Author(s):  
Xinwen Ou ◽  
Zanyong Zhuang ◽  
Jingyuan Li ◽  
Feng Huang ◽  
Zhang Lin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Negative Charge ◽  
Dynamics Simulation ◽  
Charge Site ◽  
Oh Groups ◽  
Adsorption Affinity

The redistribution of surface OH groups results in a negative charge site which facilitates the uranyl adsorption.

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