Abstract
Computer simulation techniques are used to investigate the energetics and mechanisms of dissolution of water in the upper mantle mineral wadsleyite (β(Mg, Fe)2SiO4). We show how reactions involving the reduction of Fe3+ with water incorporated as hydroxyl groups are exothermic. Reactions with water leading to the formation of Mg vacancies are also favourable, having low energies. The results suggest that wadsleyite may accommodate high concentrations of protons.
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Wright, K., Catlow, C.R.A. Calculations on the energetics of water dissolution in wadsleyite. Phys Chem Minerals 23, 38–41 (1996). https://doi.org/10.1007/BF00202991
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DOI: https://doi.org/10.1007/BF00202991