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Published May 15, 2005 | public
Journal Article

Water solubility in octahedrally-coordinated silicates

Abstract

The incorporation of water in nominally anhydrous silicates is associated with mechanical weakening, lowered melting points, and can serve as a significant volatile reservoir in the planet. We have performed first-principles calculations addressing the substitution mechanism of H_2O in octahedrally coordinated silicates. The solubility of H_2O in these silicates results from combining static calculations with a statistical-mechanical model for the entropy of solution. We address the H_2O solubility in three silicates: stishovite (SiO_2), Mg- and Ca- pervoskite, with H solution mechanisms constrained by charge balance in the structure. In the CMASH system, the only stable solution mechanisms are Al+H = Si or 2H=Ca or Mg.

Additional Information

© 2005 Elsevier Ltd. Available online 10 May 2005.

Additional details

Created:
August 19, 2023
Modified:
October 18, 2023