Surface Reactivity and Leaching of a Sodium Silicate Glass under an Aqueous Environment: A ReaxFF Molecular Dynamics Study

2019 ◽  
Vol 123 (25) ◽  
pp. 15606-15617 ◽  
Author(s):  
Seung Ho Hahn ◽  
Adri C. T. van Duin
Keyword(s):  
Molecular Dynamics ◽  
Sodium Silicate ◽  
Silicate Glass ◽  
Surface Reactivity ◽  
Aqueous Environment ◽  
Sodium Silicate Glass

scholarly journals Atomic-scale description of interfaces in rutile/sodium silicate glass–crystal composites

2018 ◽  
Vol 20 (26) ◽  
pp. 17624-17636 ◽  
Author(s):  
Paul C. M. Fossati ◽  
Michael J. D. Rushton ◽  
William E. Lee
Keyword(s):  
Crystal Structure ◽  
Sodium Silicate ◽  
Silicate Glass ◽  
Glass Phase ◽  
Structural Changes ◽  
Atomic Scale ◽  
Sodium Silicate Glass ◽  
Scale Models ◽  
Glass Crystal ◽  
Crystal Interfaces

Investigations of glass/crystal interfaces using atomic-scale models underlined structural changes in the glass phase as it accommodates the underlying crystal structure.

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