Water speciation in hydrous silicate and aluminosilicate glasses

Direct evidence from 29si-1h and 27al-1h double-resonance NMR

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33 Citations (Scopus)

Abstract

Through a combination of 1H MAS NMR, 1H → 29Si → 1H double cross-polarization (CP) MAS NMR and 27Al → 1H CP MAS NMR, different OH species [SiOH, AlOH, and (Ca,Mg)OH (free OH)] have been unambiguously identified for hydrous Ca,Mg-(alumino)silicate glasses. This confirms my earlier speciation assignments made partially on the basis of 1H chemical shift arguments. The dissolution mechanisms of water in both Al-free silicate and aluminosilicate glasses (quenched melts) are fundamentally similar. For relatively polymerized compositions, it involves dominantly the formation of TOH species (T: Si, Al) through the rupture of T-O-T linkages, in addition to molecular H2O; for more depolymerized compositions containing network-modifying cations of large field strength (e.g., Ca, Mg), free OH species are also important.

Original languageEnglish
Pages (from-to)395-398
Number of pages4
JournalAmerican Mineralogist
Volume94
Issue number2-3
DOIs
Publication statusPublished - Feb 2009

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Silicates
MAS
aluminosilicate
nuclear magnetic resonance
silicates
silicate
glass
cross polarization
Nuclear magnetic resonance
Glass
Water
polarization
Polarization
water
Chemical shift
Chemical analysis
linkages
chemical equilibrium
Cations
rupture

Keywords

  • Aluminosilicate
  • Glass
  • Melt
  • NMR
  • Silicate
  • Structure
  • Water speciation

ASJC Scopus subject areas

  • Geochemistry and Petrology
  • Geophysics

Cite this

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abstract = "Through a combination of 1H MAS NMR, 1H → 29Si → 1H double cross-polarization (CP) MAS NMR and 27Al → 1H CP MAS NMR, different OH species [SiOH, AlOH, and (Ca,Mg)OH (free OH)] have been unambiguously identified for hydrous Ca,Mg-(alumino)silicate glasses. This confirms my earlier speciation assignments made partially on the basis of 1H chemical shift arguments. The dissolution mechanisms of water in both Al-free silicate and aluminosilicate glasses (quenched melts) are fundamentally similar. For relatively polymerized compositions, it involves dominantly the formation of TOH species (T: Si, Al) through the rupture of T-O-T linkages, in addition to molecular H2O; for more depolymerized compositions containing network-modifying cations of large field strength (e.g., Ca, Mg), free OH species are also important.",
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T2 - Direct evidence from 29si-1h and 27al-1h double-resonance NMR

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N2 - Through a combination of 1H MAS NMR, 1H → 29Si → 1H double cross-polarization (CP) MAS NMR and 27Al → 1H CP MAS NMR, different OH species [SiOH, AlOH, and (Ca,Mg)OH (free OH)] have been unambiguously identified for hydrous Ca,Mg-(alumino)silicate glasses. This confirms my earlier speciation assignments made partially on the basis of 1H chemical shift arguments. The dissolution mechanisms of water in both Al-free silicate and aluminosilicate glasses (quenched melts) are fundamentally similar. For relatively polymerized compositions, it involves dominantly the formation of TOH species (T: Si, Al) through the rupture of T-O-T linkages, in addition to molecular H2O; for more depolymerized compositions containing network-modifying cations of large field strength (e.g., Ca, Mg), free OH species are also important.

AB - Through a combination of 1H MAS NMR, 1H → 29Si → 1H double cross-polarization (CP) MAS NMR and 27Al → 1H CP MAS NMR, different OH species [SiOH, AlOH, and (Ca,Mg)OH (free OH)] have been unambiguously identified for hydrous Ca,Mg-(alumino)silicate glasses. This confirms my earlier speciation assignments made partially on the basis of 1H chemical shift arguments. The dissolution mechanisms of water in both Al-free silicate and aluminosilicate glasses (quenched melts) are fundamentally similar. For relatively polymerized compositions, it involves dominantly the formation of TOH species (T: Si, Al) through the rupture of T-O-T linkages, in addition to molecular H2O; for more depolymerized compositions containing network-modifying cations of large field strength (e.g., Ca, Mg), free OH species are also important.

KW - Aluminosilicate

KW - Glass

KW - Melt

KW - NMR

KW - Silicate

KW - Structure

KW - Water speciation

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