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Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution
This article simulates hydrous species (H2O and Si-OH) on nano-porous alteration layers (gels) formed on a boroaluminosilicate glass called International Simple Glass corroded in aqueous solutions at pH 7 and pH 9, and initially saturated with soluble silicon-containing species were analyzed using linear and non-linear vibrational spectroscopy in combination with molecular dynamics simulations. The simulation and experimental results obtained in this study indicate that the water mobility in the gel formed at pH 9 could be slower than that in the gel formed at pH 7, and as a result, the leaching rate at pH 9 is slower than that at pH 7.
Date:
January 7, 2020
Creator:
Ngo, Dien; Liu, Hongshen; Chen, Zhe; Huseyin, Kaya; Zimudzi, Tawanda J.; Gin, Stéphane et al.
System:
The UNT Digital Library