Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution

Ngo, Dien; Liu, Hongshen; Chen, Zhe; Kaya, Huseyin; Zimudzi, Tawanda J.; Gin, Stéphane; Mahadevan, Thiruvillamalai; Du, Jincheng; Kim, Seong H.

doi:10.1038/s41529-019-0105-2

Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution

Journal Article · Mon Jan 06 23:00:00 EST 2020 · npj Materials Degradation

DOI:https://doi.org/10.1038/s41529-019-0105-2· OSTI ID:1619729

Ngo, Dien; Liu, Hongshen; ; Kaya, Huseyin; ; ; Mahadevan, Thiruvillamalai; ; Kim, Seong H.

Abstract

Hydrogen bonding interactions play an important role in many chemical and physical processes occurring in bulk liquids and at interfaces. In this study, hydrous species (H ₂ O 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 results revealed various possible types of hydrogen bonds among these hydrous species in nanoconfinement environments with their populations depending on pore-size distribution. The nano-porous gels formed on corroded glass surfaces enhance hydrogen bond strength between hydrous species as revealed by attenuated total reflectance infrared spectroscopy. Sum frequency generation spectroscopy showed some significant differences in hydrogen bonding interactions on alteration layers formed at pH 7 and pH 9. The glass dissolution under the leaching conditions used in this study has been known to be ten times faster at pH 7 in comparison to that at pH 9 due to unknown reasons. 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.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0016584

OSTI ID:: 1619729

Alternate ID(s):: OSTI ID: 1600979
OSTI ID: 1593559

Journal Information:: npj Materials Degradation, Journal Name: npj Materials Degradation Journal Issue: 1 Vol. 4; ISSN 2397-2106

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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