Molecular dynamics study of confined water in the periclase-brucite system under conditions of reaction-induced fracturing
Geochimica et Cosmochimica Acta(2021)
Abstract
•Above 30 MPa, reaction-induced fracturing in the periclase-brucite system slow down.•Our simulations propose a mechanism for the observed slow-down.•A few tens of MPa are sufficient to squeeze out all but one water layer.•The self-diffusion coefficient of water decreases with thinner water films.
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Key words
Brucite,Periclase,Hydration force,Confined water,Reaction-induced fracturing
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