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Water solubility in octahedrally-coordinated silicates

Panero, Wendy R. and Stixrude, Lars P. and Akber-Knutson, Sofia (2005) Water solubility in octahedrally-coordinated silicates. Geochimica et Cosmochimica Acta, 69 (10). A747. ISSN 0016-7037.

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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.

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Additional Information:© 2005 Elsevier Ltd. Available online 10 May 2005.
Issue or Number:10
Record Number:CaltechAUTHORS:20180501-081229876
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Official Citation:Goldschmidt Conference Abstracts 2005, Geochimica et Cosmochimica Acta, Volume 69, Issue 10, Supplement, 2005, Pages 701-750, ISSN 0016-7037, (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:86148
Deposited By: Tony Diaz
Deposited On:01 May 2018 18:22
Last Modified:03 Oct 2019 19:40

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