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The solubility of Cu, Ag and Au in magmatic sulfur-bearing fluids as a function of oxygen fugacity
2022, Geochimica et Cosmochimica ActaThe nature of NaCl–H<inf>2</inf>O deep fluids from ab initio molecular dynamics at 0.5–4.5 GPa, 20–800 °C, and 1–14 m NaCl
2020, Geochimica et Cosmochimica ActaCitation Excerpt :Most Na and/or Cl species form and break down at timescales of 100–300 fs or less, but the average proportion of polyatomic entities and dissociated or undissociated water remained stable. At 14 m, all of the Na and Cl belong to polynuclear clusters and, as such, we cannot define separate NaCl, Na2Cl+, and NaCl2- species as done by Oelkers and Helgeson (1993). In summary, at high P,T, a breakdown of the water structure is associated with better agreement between ab initio-predicted densities and experimental measurements (e.g., Mantegazzi et al. (2013).
Chemical and physicochemical properties of formation waters of the oil and gas industry
2019, Journal of Hydrology
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